Organoheterocyclic compounds
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3-Methyl-2-furoic acid, 98+%
CAS: 4412-96-8 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00014111 InChI Key: BNYIQEFWGSXIKQ-UHFFFAOYSA-N Synonym: 3-methyl-2-furoic acid,2-furancarboxylic acid, 3-methyl,3-methyl-2-furancarboxylic acid,unii-5jp68392hm,3-methyl-furan-2-carboxylic acid,3-methyl-2-furoicacid,methylpyromucic acid,3-methyl furoic acid,3-methylpyromucic acid,acmc-20a5im PubChem CID: 78127 IUPAC Name: 3-methylfuran-2-carboxylic acid SMILES: CC1=C(OC=C1)C(O)=O
| PubChem CID | 78127 |
|---|---|
| CAS | 4412-96-8 |
| Molecular Weight (g/mol) | 126.11 |
| MDL Number | MFCD00014111 |
| SMILES | CC1=C(OC=C1)C(O)=O |
| Synonym | 3-methyl-2-furoic acid,2-furancarboxylic acid, 3-methyl,3-methyl-2-furancarboxylic acid,unii-5jp68392hm,3-methyl-furan-2-carboxylic acid,3-methyl-2-furoicacid,methylpyromucic acid,3-methyl furoic acid,3-methylpyromucic acid,acmc-20a5im |
| IUPAC Name | 3-methylfuran-2-carboxylic acid |
| InChI Key | BNYIQEFWGSXIKQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
2-Ethyl-4-methylimidazole, 96%
CAS: 931-36-2 Molecular Formula: C6H10N2 Molecular Weight (g/mol): 110.16 MDL Number: MFCD00005193 InChI Key: ULKLGIFJWFIQFF-UHFFFAOYSA-N Synonym: 2-ethyl-4-methylimidazole,2-ethyl-4-methyl-1h-imidazole,1h-imidazole, 2-ethyl-4-methyl,4-methyl-2-ethylimidazole,1h-imidazole, 2-ethyl-5-methyl,imidazole, 2-ethyl-4-methyl,unii-5k8xi641g3,2-ethyl-4-methyl-imidazole,2-ethyl-4-methyl-3h-imidazole,curazol 2e4mz PubChem CID: 70262 IUPAC Name: 2-ethyl-5-methyl-1H-imidazole SMILES: CCC1=NC=C(N1)C
| PubChem CID | 70262 |
|---|---|
| CAS | 931-36-2 |
| Molecular Weight (g/mol) | 110.16 |
| MDL Number | MFCD00005193 |
| SMILES | CCC1=NC=C(N1)C |
| Synonym | 2-ethyl-4-methylimidazole,2-ethyl-4-methyl-1h-imidazole,1h-imidazole, 2-ethyl-4-methyl,4-methyl-2-ethylimidazole,1h-imidazole, 2-ethyl-5-methyl,imidazole, 2-ethyl-4-methyl,unii-5k8xi641g3,2-ethyl-4-methyl-imidazole,2-ethyl-4-methyl-3h-imidazole,curazol 2e4mz |
| IUPAC Name | 2-ethyl-5-methyl-1H-imidazole |
| InChI Key | ULKLGIFJWFIQFF-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2 |
5-Methylcytosine, 97%
CAS: 554-01-8 Molecular Formula: C5H7N3O Molecular Weight (g/mol): 125.13 MDL Number: MFCD00233537 InChI Key: LRSASMSXMSNRBT-UHFFFAOYSA-N Synonym: 5-methylcytosine,cytosine, 5-methyl,2 1h-pyrimidinone, 4-amino-5-methyl,5-methylcytosine van,5 methylcytosine,5-methyl-cytosine,unii-6r795cqt4h,4-amino-5-methyl-2-pyrimidinol,4-amino-5-methylpyrimidin-2 1h-one,cytosine, 5-methyl-van PubChem CID: 65040 ChEBI: CHEBI:27551 IUPAC Name: 6-amino-5-methyl-1H-pyrimidin-2-one SMILES: CC1=C(N)NC(=O)N=C1
| PubChem CID | 65040 |
|---|---|
| CAS | 554-01-8 |
| Molecular Weight (g/mol) | 125.13 |
| ChEBI | CHEBI:27551 |
| MDL Number | MFCD00233537 |
| SMILES | CC1=C(N)NC(=O)N=C1 |
| Synonym | 5-methylcytosine,cytosine, 5-methyl,2 1h-pyrimidinone, 4-amino-5-methyl,5-methylcytosine van,5 methylcytosine,5-methyl-cytosine,unii-6r795cqt4h,4-amino-5-methyl-2-pyrimidinol,4-amino-5-methylpyrimidin-2 1h-one,cytosine, 5-methyl-van |
| IUPAC Name | 6-amino-5-methyl-1H-pyrimidin-2-one |
| InChI Key | LRSASMSXMSNRBT-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3O |
3-Aminoquinuclidine dihydrochloride, 98%
CAS: 6530-09-2 Molecular Formula: C7H14N2·2ClH Molecular Weight (g/mol): 199.12 MDL Number: MFCD00137395 InChI Key: STZHBULOYDCZET-UHFFFAOYNA-N ChEBI: CHEBI:47953
| CAS | 6530-09-2 |
|---|---|
| Molecular Weight (g/mol) | 199.12 |
| ChEBI | CHEBI:47953 |
| MDL Number | MFCD00137395 |
| InChI Key | STZHBULOYDCZET-UHFFFAOYNA-N |
| Molecular Formula | C7H14N2·2ClH |
2-Amino-4-(4-biphenylyl)thiazole, 97%
CAS: 2834-79-9 Molecular Formula: C15H12N2S Molecular Weight (g/mol): 252.335 MDL Number: MFCD00047059 InChI Key: HTAUVJPDFDVVHV-UHFFFAOYSA-N Synonym: 2-amino-4-4-biphenylyl thiazole,4-biphenyl-4-yl-thiazol-2-ylamine,4-4-phenylphenyl-1,3-thiazol-2-amine,usaf ek-4373,thiazole, 2-amino-4-4-biphenylyl,unii-39u8aa34ot,4-1,1'-biphenyl-4-yl-1,3-thiazol-2-amine,4-1,1'-biphenyl-4-yl thiazol-2-amine,2-amino-4-4-biphenyl thiazole,4-biphenyl-4-ylthiazol-2-ylamine PubChem CID: 76075 IUPAC Name: 4-(4-phenylphenyl)-1,3-thiazol-2-amine SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)N
| PubChem CID | 76075 |
|---|---|
| CAS | 2834-79-9 |
| Molecular Weight (g/mol) | 252.335 |
| MDL Number | MFCD00047059 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)N |
| Synonym | 2-amino-4-4-biphenylyl thiazole,4-biphenyl-4-yl-thiazol-2-ylamine,4-4-phenylphenyl-1,3-thiazol-2-amine,usaf ek-4373,thiazole, 2-amino-4-4-biphenylyl,unii-39u8aa34ot,4-1,1'-biphenyl-4-yl-1,3-thiazol-2-amine,4-1,1'-biphenyl-4-yl thiazol-2-amine,2-amino-4-4-biphenyl thiazole,4-biphenyl-4-ylthiazol-2-ylamine |
| IUPAC Name | 4-(4-phenylphenyl)-1,3-thiazol-2-amine |
| InChI Key | HTAUVJPDFDVVHV-UHFFFAOYSA-N |
| Molecular Formula | C15H12N2S |
Disuccinimidyl suberate, 97%
CAS: 68528-80-3 Molecular Formula: C16H20N2O8 Molecular Weight (g/mol): 368.342 MDL Number: MFCD00049059 InChI Key: ZWIBGKZDAWNIFC-UHFFFAOYSA-N Synonym: disuccinimidyl suberate,bis 2,5-dioxopyrrolidin-1-yl octanedioate,suberic acid bis n-hydroxysuccinimide ester,di n-succinimidyl suberate,bicl100,2,5-pyrrolidinedione, 1,1'-1,8-dioxo-1,8-octanediyl bis oxy bis,nhs-sa,disuccinimidylsuberate,dsis,n-hydroxysuccinimide suberic acid ester PubChem CID: 100658 IUPAC Name: bis(2,5-dioxopyrrolidin-1-yl) octanedioate SMILES: C1CC(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O
| PubChem CID | 100658 |
|---|---|
| CAS | 68528-80-3 |
| Molecular Weight (g/mol) | 368.342 |
| MDL Number | MFCD00049059 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CCC2=O |
| Synonym | disuccinimidyl suberate,bis 2,5-dioxopyrrolidin-1-yl octanedioate,suberic acid bis n-hydroxysuccinimide ester,di n-succinimidyl suberate,bicl100,2,5-pyrrolidinedione, 1,1'-1,8-dioxo-1,8-octanediyl bis oxy bis,nhs-sa,disuccinimidylsuberate,dsis,n-hydroxysuccinimide suberic acid ester |
| IUPAC Name | bis(2,5-dioxopyrrolidin-1-yl) octanedioate |
| InChI Key | ZWIBGKZDAWNIFC-UHFFFAOYSA-N |
| Molecular Formula | C16H20N2O8 |
2-Methylamino-3-methylpyridine-5-boronic acid pinacol ester, 96%
CAS: 1111637-92-3 Molecular Formula: C13H21BN2O2 Molecular Weight (g/mol): 248.133 MDL Number: MFCD12923387 InChI Key: VZNAKHVRKWXDMU-UHFFFAOYSA-N Synonym: n,3-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine,2-methylamino-3-methylpyridine-5-boronic acid pinacol ester,2-n-methylamino-3-methylpyridine-5-boronic acid pinacol ester,5-methyl-6-methylamino pyridine-3-boronic acid pinacol ester,methyl-3-methyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridin-2-yl-amine,n,3-dimethyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-2-amine,n,3-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2-pyridinamine,n-methyl-3-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine PubChem CID: 57416512 IUPAC Name: N,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)NC)C
| PubChem CID | 57416512 |
|---|---|
| CAS | 1111637-92-3 |
| Molecular Weight (g/mol) | 248.133 |
| MDL Number | MFCD12923387 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)NC)C |
| Synonym | n,3-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine,2-methylamino-3-methylpyridine-5-boronic acid pinacol ester,2-n-methylamino-3-methylpyridine-5-boronic acid pinacol ester,5-methyl-6-methylamino pyridine-3-boronic acid pinacol ester,methyl-3-methyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyridin-2-yl-amine,n,3-dimethyl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-2-amine,n,3-dimethyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-2-pyridinamine,n-methyl-3-methyl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-2-amine |
| IUPAC Name | N,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
| InChI Key | VZNAKHVRKWXDMU-UHFFFAOYSA-N |
| Molecular Formula | C13H21BN2O2 |
4-Amino-6-methylpyrimidine, 95%
CAS: 3435-28-7 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD01863677 InChI Key: LAERIBHKDNBVOO-UHFFFAOYSA-N Synonym: 4-amino-6-methylpyrimidine,6-methyl-4-pyrimidinamine,4-pyrimidinamine, 6-methyl,6-methylpyrimidin-4-ylamine,4-pyrimidinamine, 6-methyl-9ci,4-methyl-6-aminopyrimidine,4-pyrimidinamine,6-methyl,6-methylpyrimidine-4-ylamine,6-methyl-4-amine-pyrimidine,6-methyl-4-pyrimidinamine # PubChem CID: 572852 IUPAC Name: 6-methylpyrimidin-4-amine SMILES: CC1=CC(=NC=N1)N
| PubChem CID | 572852 |
|---|---|
| CAS | 3435-28-7 |
| Molecular Weight (g/mol) | 109.132 |
| MDL Number | MFCD01863677 |
| SMILES | CC1=CC(=NC=N1)N |
| Synonym | 4-amino-6-methylpyrimidine,6-methyl-4-pyrimidinamine,4-pyrimidinamine, 6-methyl,6-methylpyrimidin-4-ylamine,4-pyrimidinamine, 6-methyl-9ci,4-methyl-6-aminopyrimidine,4-pyrimidinamine,6-methyl,6-methylpyrimidine-4-ylamine,6-methyl-4-amine-pyrimidine,6-methyl-4-pyrimidinamine # |
| IUPAC Name | 6-methylpyrimidin-4-amine |
| InChI Key | LAERIBHKDNBVOO-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
4-(2-bromoethyl)tetrahydropyran, 97%, Thermo Scientific™
CAS: 4677-20-7 Molecular Formula: C7H13BrO Molecular Weight (g/mol): 193.08 MDL Number: MFCD09800414 InChI Key: WPDAWFCZGSQOPZ-UHFFFAOYSA-N Synonym: 4-2-bromoethyl tetrahydropyran,4-2-bromoethyl tetrahydro-2h-pyran,4-2-bromoethyl oxane,4-2-bromoethyl-tetrahydropyran,4-2-bromo-ethyl-tetrahydro-pyran,2h-pyran, 4-2-bromoethyl tetrahydro,4-2-bromoethyl-tetrahydro-2h-pyran,pubchem16818,ablock ab-11-0011,2h-pyran,4-2-bromoethyl tetrahydro PubChem CID: 22637012 IUPAC Name: 4-(2-bromoethyl)oxane SMILES: BrCCC1CCOCC1
| PubChem CID | 22637012 |
|---|---|
| CAS | 4677-20-7 |
| Molecular Weight (g/mol) | 193.08 |
| MDL Number | MFCD09800414 |
| SMILES | BrCCC1CCOCC1 |
| Synonym | 4-2-bromoethyl tetrahydropyran,4-2-bromoethyl tetrahydro-2h-pyran,4-2-bromoethyl oxane,4-2-bromoethyl-tetrahydropyran,4-2-bromo-ethyl-tetrahydro-pyran,2h-pyran, 4-2-bromoethyl tetrahydro,4-2-bromoethyl-tetrahydro-2h-pyran,pubchem16818,ablock ab-11-0011,2h-pyran,4-2-bromoethyl tetrahydro |
| IUPAC Name | 4-(2-bromoethyl)oxane |
| InChI Key | WPDAWFCZGSQOPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO |
4-(Trifluoromethyl)nicotinic acid, 98%
CAS: 158063-66-2 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.11 MDL Number: MFCD00082626 InChI Key: LMRJHNFECNKDKH-UHFFFAOYSA-N Synonym: 4-trifluoromethyl nicotinic acid,4-trifluoromethyl pyridine-3-carboxylic acid,tfna,3-pyridinecarboxylic acid, 4-trifluoromethyl,4-trifluoromethyl-nicotinic acid,4-trifluoromethylnicotinic acid,3-carboxy-4-trifluoromethyl pyridine,4-trifluoromethyl-3-pyridinecarboxylic acid,maybridge1_006267 PubChem CID: 2777549 IUPAC Name: 4-(trifluoromethyl)pyridine-3-carboxylic acid SMILES: OC(=O)C1=C(C=CN=C1)C(F)(F)F
| PubChem CID | 2777549 |
|---|---|
| CAS | 158063-66-2 |
| Molecular Weight (g/mol) | 191.11 |
| MDL Number | MFCD00082626 |
| SMILES | OC(=O)C1=C(C=CN=C1)C(F)(F)F |
| Synonym | 4-trifluoromethyl nicotinic acid,4-trifluoromethyl pyridine-3-carboxylic acid,tfna,3-pyridinecarboxylic acid, 4-trifluoromethyl,4-trifluoromethyl-nicotinic acid,4-trifluoromethylnicotinic acid,3-carboxy-4-trifluoromethyl pyridine,4-trifluoromethyl-3-pyridinecarboxylic acid,maybridge1_006267 |
| IUPAC Name | 4-(trifluoromethyl)pyridine-3-carboxylic acid |
| InChI Key | LMRJHNFECNKDKH-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO2 |
2,2-Dimethyl-6-nitro-2H-1,4-benzoxazin-3(4H)-one, 97%, Thermo Scientific Chemicals
CAS: 85160-84-5 Molecular Formula: C10H10N2O4 Molecular Weight (g/mol): 222.20 MDL Number: MFCD03427729 InChI Key: YKXZRZGZJZYBBH-UHFFFAOYSA-N Synonym: 2,2-dimethyl-6-nitro-2h-benzo b 1,4 oxazin-3 4h-one,2h-1,4-benzoxazin-3 4h-one, 2,2-dimethyl-6-nitro,2,2-dimethyl-6-nitro-2h-1,4-benzoxazin-3 4h-one,2,2-dimethyl-6-nitro-4h-benzo 1,4 oxazin-3-one,2,2-dimethyl-6-nitro-2,3-dihydro-4h-1,4-benzooxazine-3-one,3,4-dihydro-2,2-dimethyl-6-nitro-3-oxo-2h-1,4-benzoxazine,2,2-dimethyl-6-nitro-2h-benzo b 1.4 oxazine-3 4h-one,2,2-dimethyl-6-nitro-3,4-dihydro-2h-benzo 1,4 oxazine-one PubChem CID: 10656631 IUPAC Name: 2,2-dimethyl-6-nitro-4H-1,4-benzoxazin-3-one SMILES: CC1(C)OC2=C(NC1=O)C=C(C=C2)[N+]([O-])=O
| PubChem CID | 10656631 |
|---|---|
| CAS | 85160-84-5 |
| Molecular Weight (g/mol) | 222.20 |
| MDL Number | MFCD03427729 |
| SMILES | CC1(C)OC2=C(NC1=O)C=C(C=C2)[N+]([O-])=O |
| Synonym | 2,2-dimethyl-6-nitro-2h-benzo b 1,4 oxazin-3 4h-one,2h-1,4-benzoxazin-3 4h-one, 2,2-dimethyl-6-nitro,2,2-dimethyl-6-nitro-2h-1,4-benzoxazin-3 4h-one,2,2-dimethyl-6-nitro-4h-benzo 1,4 oxazin-3-one,2,2-dimethyl-6-nitro-2,3-dihydro-4h-1,4-benzooxazine-3-one,3,4-dihydro-2,2-dimethyl-6-nitro-3-oxo-2h-1,4-benzoxazine,2,2-dimethyl-6-nitro-2h-benzo b 1.4 oxazine-3 4h-one,2,2-dimethyl-6-nitro-3,4-dihydro-2h-benzo 1,4 oxazine-one |
| IUPAC Name | 2,2-dimethyl-6-nitro-4H-1,4-benzoxazin-3-one |
| InChI Key | YKXZRZGZJZYBBH-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O4 |
2,4-Lutidine, 98+%
CAS: 108-47-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00006337 InChI Key: JYYNAJVZFGKDEQ-UHFFFAOYSA-N Synonym: 2,4-lutidine,pyridine, 2,4-dimethyl,alpha,gamma-dimethylpyridine,2,4-lutidene,unii-83903uj0ww,2,4-dimethyl-pyridine,.alpha.,.gamma.-dimethylpyridine,2,4-dimethyl pyridine,2.4-lutidine,2,4 lutidine PubChem CID: 7936 IUPAC Name: 2,4-dimethylpyridine SMILES: CC1=CC=NC(C)=C1
| PubChem CID | 7936 |
|---|---|
| CAS | 108-47-4 |
| Molecular Weight (g/mol) | 107.16 |
| MDL Number | MFCD00006337 |
| SMILES | CC1=CC=NC(C)=C1 |
| Synonym | 2,4-lutidine,pyridine, 2,4-dimethyl,alpha,gamma-dimethylpyridine,2,4-lutidene,unii-83903uj0ww,2,4-dimethyl-pyridine,.alpha.,.gamma.-dimethylpyridine,2,4-dimethyl pyridine,2.4-lutidine,2,4 lutidine |
| IUPAC Name | 2,4-dimethylpyridine |
| InChI Key | JYYNAJVZFGKDEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
5-Chloro-6-hydroxynicotinic acid, 98%
CAS: 54127-63-8 Molecular Formula: C6H3ClNO3 Molecular Weight (g/mol): 172.54 MDL Number: MFCD00052950 InChI Key: OLTRUTPHSBQWAZ-UHFFFAOYSA-M Synonym: 5-chloro-6-hydroxynicotinic acid,3-chloro-2-hydroxypyridine-5-carboxylic acid,5-chloro-6-hydroxypyridine-3-carboxylic acid,5-chloro-6-hydroxy-3-pyridinecarboxylic acid,5-chloro-6-hydroxynicotinicacid,3-pyridinecarboxylic acid, 5-chloro-1,6-dihydro-6-oxo,5-chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid,pubchem10618,maybridge1_008981,acmc-1b1yw PubChem CID: 599541 IUPAC Name: 5-chloro-6-oxo-1H-pyridine-3-carboxylic acid SMILES: [O-]C(=O)C1=CNC(=O)C(Cl)=C1
| PubChem CID | 599541 |
|---|---|
| CAS | 54127-63-8 |
| Molecular Weight (g/mol) | 172.54 |
| MDL Number | MFCD00052950 |
| SMILES | [O-]C(=O)C1=CNC(=O)C(Cl)=C1 |
| Synonym | 5-chloro-6-hydroxynicotinic acid,3-chloro-2-hydroxypyridine-5-carboxylic acid,5-chloro-6-hydroxypyridine-3-carboxylic acid,5-chloro-6-hydroxy-3-pyridinecarboxylic acid,5-chloro-6-hydroxynicotinicacid,3-pyridinecarboxylic acid, 5-chloro-1,6-dihydro-6-oxo,5-chloro-6-oxo-1,6-dihydropyridine-3-carboxylic acid,pubchem10618,maybridge1_008981,acmc-1b1yw |
| IUPAC Name | 5-chloro-6-oxo-1H-pyridine-3-carboxylic acid |
| InChI Key | OLTRUTPHSBQWAZ-UHFFFAOYSA-M |
| Molecular Formula | C6H3ClNO3 |
(-)-Bicuculline methiodide, 98%
CAS: 40709-69-1 Molecular Formula: C21H20INO6 Molecular Weight (g/mol): 509.296 MDL Number: MFCD00078966 InChI Key: HKJKCPKPSSVUHY-GRTNUQQKSA-M Synonym: --bicuculline methiodide,bicuculline methiodide,1 s ,9 r---bicuculline methiodide,5s-5-6r-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo 4,5-g isoquinolinium iodide,1,3-dioxolo 4,5-g isoquinolinium, 5-6r-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, 5s,1,3-dioxolo 4,5-g isoquinolinium, 5-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, r-r*,s*,opera_id_515,--bicucullinemethiodide,1 s ,9 r---bicuculline methiodide hpce,5r-5-6s-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo 4,5-g isoquinolinium iodide PubChem CID: 104871 IUPAC Name: (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;iodide SMILES: C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]
| PubChem CID | 104871 |
|---|---|
| CAS | 40709-69-1 |
| Molecular Weight (g/mol) | 509.296 |
| MDL Number | MFCD00078966 |
| SMILES | C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-] |
| Synonym | --bicuculline methiodide,bicuculline methiodide,1 s ,9 r---bicuculline methiodide,5s-5-6r-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo 4,5-g isoquinolinium iodide,1,3-dioxolo 4,5-g isoquinolinium, 5-6r-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, 5s,1,3-dioxolo 4,5-g isoquinolinium, 5-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, r-r*,s*,opera_id_515,--bicucullinemethiodide,1 s ,9 r---bicuculline methiodide hpce,5r-5-6s-6,8-dihydro-8-oxofuro 3,4-e-1,3-benzodioxol-6-yl-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo 4,5-g isoquinolinium iodide |
| IUPAC Name | (6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;iodide |
| InChI Key | HKJKCPKPSSVUHY-GRTNUQQKSA-M |
| Molecular Formula | C21H20INO6 |
1,3-Benzodioxole-4-carboxylic acid, ≥97%, Thermo Scientific™
CAS: 5768-39-8 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 MDL Number: MFCD01076411 InChI Key: DBUAYOWCIUQXQW-UHFFFAOYSA-N Synonym: benzo d 1,3 dioxole-4-carboxylic acid,2h-1,3-benzodioxole-4-carboxylic acid,1,3-benzodioxole-4-carboxylicacid,2,3-methylenedioxybenzoic acid,2,3-methylenedioxy benzoic acid,o-piperonylic acid,2-methylenedioxybenzoic acid,4-carboxy-1,3-benzodioxole,1-carboxy-methylenedioxybenzene,benzo 1,3 dioxole-4-carboxylic acid PubChem CID: 304832 IUPAC Name: 1,3-benzodioxole-4-carboxylic acid SMILES: C1OC2=CC=CC(=C2O1)C(=O)O
| PubChem CID | 304832 |
|---|---|
| CAS | 5768-39-8 |
| Molecular Weight (g/mol) | 166.132 |
| MDL Number | MFCD01076411 |
| SMILES | C1OC2=CC=CC(=C2O1)C(=O)O |
| Synonym | benzo d 1,3 dioxole-4-carboxylic acid,2h-1,3-benzodioxole-4-carboxylic acid,1,3-benzodioxole-4-carboxylicacid,2,3-methylenedioxybenzoic acid,2,3-methylenedioxy benzoic acid,o-piperonylic acid,2-methylenedioxybenzoic acid,4-carboxy-1,3-benzodioxole,1-carboxy-methylenedioxybenzene,benzo 1,3 dioxole-4-carboxylic acid |
| IUPAC Name | 1,3-benzodioxole-4-carboxylic acid |
| InChI Key | DBUAYOWCIUQXQW-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |