Organoheterocyclic compounds
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Thermo Scientific Chemicals Melatonine, 99%
CAS: 73-31-4 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.28 MDL Number: MFCD00005655 InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N Synonym: melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine PubChem CID: 896 ChEBI: CHEBI:16796 IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
| PubChem CID | 896 |
|---|---|
| CAS | 73-31-4 |
| Molecular Weight (g/mol) | 232.28 |
| ChEBI | CHEBI:16796 |
| MDL Number | MFCD00005655 |
| SMILES | CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC |
| Synonym | melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine |
| IUPAC Name | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide |
| InChI Key | DRLFMBDRBRZALE-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O2 |
Caffeine, 98.5%, specified according to the req. of USP/BP
CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 2519 |
|---|---|
| CAS | 58-08-2 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:27732 |
| MDL Number | MFCD00005758 |
| SMILES | CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep |
| IUPAC Name | 1,3,7-trimethylpurine-2,6-dione |
| InChI Key | RYYVLZVUVIJVGH-UHFFFAOYSA-N |
| Molecular Formula | C8H10N4O2 |
N-(4-Aminobutyl)-N-ethylisoluminol 97.0+%, TCI America™
CAS: 66612-29-1 Molecular Formula: C14H20N4O2 Molecular Weight (g/mol): 276.34 MDL Number: MFCD00010559 InChI Key: LEOJISUPFSWNMA-UHFFFAOYSA-N Synonym: n-4-aminobutyl-n-ethylisoluminol,abei,6-4-aminobutyl ethyl amino-2,3-dihydrophthalazine-1,4-dione,6-n-4-aminobutyl-n-ethyl amino-2,3-dihydrophthalazine-1,4-dione,1,4-phthalazinedione, 6-4-aminobutyl ethylamino-2,3-dihydro,6-n-4-aminobutyl-n-ethylamino-2,3-dihydro-1,4-phthalazinedione,n-4-aminobutyl-n-ethylisolumiol PubChem CID: 196441 IUPAC Name: 6-[(4-aminobutyl)(ethyl)amino]-1,2,3,4-tetrahydrophthalazine-1,4-dione SMILES: CCN(CCCCN)C1=CC=C2C(=O)NNC(=O)C2=C1
| PubChem CID | 196441 |
|---|---|
| CAS | 66612-29-1 |
| Molecular Weight (g/mol) | 276.34 |
| MDL Number | MFCD00010559 |
| SMILES | CCN(CCCCN)C1=CC=C2C(=O)NNC(=O)C2=C1 |
| Synonym | n-4-aminobutyl-n-ethylisoluminol,abei,6-4-aminobutyl ethyl amino-2,3-dihydrophthalazine-1,4-dione,6-n-4-aminobutyl-n-ethyl amino-2,3-dihydrophthalazine-1,4-dione,1,4-phthalazinedione, 6-4-aminobutyl ethylamino-2,3-dihydro,6-n-4-aminobutyl-n-ethylamino-2,3-dihydro-1,4-phthalazinedione,n-4-aminobutyl-n-ethylisolumiol |
| IUPAC Name | 6-[(4-aminobutyl)(ethyl)amino]-1,2,3,4-tetrahydrophthalazine-1,4-dione |
| InChI Key | LEOJISUPFSWNMA-UHFFFAOYSA-N |
| Molecular Formula | C14H20N4O2 |
Indole-3-Butyric Acid Potassium Salt, MP Biomedicals™
Molecular Formula: C12H12KNO2 Molecular Weight (g/mol): 241.331 MDL Number: MFCD00058442 InChI Key: KTWDHJYSJOSTSJ-UHFFFAOYSA-M Synonym: potassium 4-1h-indol-3-yl butanoate,indole-3-butyric acid potassium salt,indole-3-butyric acid potassium,4-indol-3-ylbutanoic acid, potassium salt,potassium indolebutyrate,pubchem22140,cambridge id 5119461,potassium ion indole-3 butyrate,indole-3-butyric acid-potassium salt,3-indole butyric acid, potassium salt PubChem CID: 23664348 IUPAC Name: potassium;4-(1H-indol-3-yl)butanoate SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]
| PubChem CID | 23664348 |
|---|---|
| Molecular Weight (g/mol) | 241.331 |
| MDL Number | MFCD00058442 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+] |
| Synonym | potassium 4-1h-indol-3-yl butanoate,indole-3-butyric acid potassium salt,indole-3-butyric acid potassium,4-indol-3-ylbutanoic acid, potassium salt,potassium indolebutyrate,pubchem22140,cambridge id 5119461,potassium ion indole-3 butyrate,indole-3-butyric acid-potassium salt,3-indole butyric acid, potassium salt |
| IUPAC Name | potassium;4-(1H-indol-3-yl)butanoate |
| InChI Key | KTWDHJYSJOSTSJ-UHFFFAOYSA-M |
| Molecular Formula | C12H12KNO2 |
Glycoluril, 97%
CAS: 496-46-8 Molecular Formula: C4H6N4O2 Molecular Weight (g/mol): 142.12 InChI Key: VPVSTMAPERLKKM-UHFFFAOYSA-N Synonym: glycoluril,acetyleneurea,acetylenediureine,acetylenediurea,glyoxalbiuret,glyoxaldiureine,acetylene carbamide,diurea glyoxalate,tetrahydroimidazo 4,5-d imidazole-2,5 1h,3h-dione,glyoxaldiurene PubChem CID: 62347 ChEBI: CHEBI:42946 IUPAC Name: 1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione SMILES: C12C(NC(=O)N1)NC(=O)N2
| PubChem CID | 62347 |
|---|---|
| CAS | 496-46-8 |
| Molecular Weight (g/mol) | 142.12 |
| ChEBI | CHEBI:42946 |
| SMILES | C12C(NC(=O)N1)NC(=O)N2 |
| Synonym | glycoluril,acetyleneurea,acetylenediureine,acetylenediurea,glyoxalbiuret,glyoxaldiureine,acetylene carbamide,diurea glyoxalate,tetrahydroimidazo 4,5-d imidazole-2,5 1h,3h-dione,glyoxaldiurene |
| IUPAC Name | 1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione |
| InChI Key | VPVSTMAPERLKKM-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4O2 |
1-Ethyl-3-methylimidazolium bromide, 98%
CAS: 65039-08-9 Molecular Formula: C6H11BrN2 Molecular Weight (g/mol): 191.07 MDL Number: MFCD03427610 InChI Key: GWQYPLXGJIXMMV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br PubChem CID: 2734235 SMILES: [Br-].CCN1C=C[N+](C)=C1
| PubChem CID | 2734235 |
|---|---|
| CAS | 65039-08-9 |
| Molecular Weight (g/mol) | 191.07 |
| MDL Number | MFCD03427610 |
| SMILES | [Br-].CCN1C=C[N+](C)=C1 |
| Synonym | 1-ethyl-3-methylimidazolium bromide,3-ethyl-1-methyl-1h-imidazol-3-ium bromide,1-ethyl-3-methylmidazolium bromide,unii-xo254ye73i,1-ethyl-3-methyl-1h-imidazol-3-ium bromide,acmc-1b3a0,dsstox_cid_29300,dsstox_rid_83418,dsstox_gsid_49343,c6h11n2.br |
| InChI Key | GWQYPLXGJIXMMV-UHFFFAOYSA-M |
| Molecular Formula | C6H11BrN2 |
2-Vinylpyridine, 97%, stabilized
CAS: 100-69-6 Molecular Formula: C7H7N Molecular Weight (g/mol): 105.14 MDL Number: MFCD00006355 InChI Key: KGIGUEBEKRSTEW-UHFFFAOYSA-N Synonym: 2-vinylpyridine,pyridine, 2-ethenyl,pyridine, 2-vinyl,pyridine, ethenyl,vinylpyridine,2-vinyl pyridine,alpha-vinylpyridine,vinyl pyridine,unii-dt4uv4nnkx,ccris 5238 PubChem CID: 7521 IUPAC Name: 2-ethenylpyridine SMILES: C=CC1=CC=CC=N1
| PubChem CID | 7521 |
|---|---|
| CAS | 100-69-6 |
| Molecular Weight (g/mol) | 105.14 |
| MDL Number | MFCD00006355 |
| SMILES | C=CC1=CC=CC=N1 |
| Synonym | 2-vinylpyridine,pyridine, 2-ethenyl,pyridine, 2-vinyl,pyridine, ethenyl,vinylpyridine,2-vinyl pyridine,alpha-vinylpyridine,vinyl pyridine,unii-dt4uv4nnkx,ccris 5238 |
| IUPAC Name | 2-ethenylpyridine |
| InChI Key | KGIGUEBEKRSTEW-UHFFFAOYSA-N |
| Molecular Formula | C7H7N |
Dimidium bromide, 95%
CAS: 518-67-2 Molecular Formula: C20H18BrN3 Molecular Weight (g/mol): 380.29 MDL Number: MFCD00011757 InChI Key: MQOKYEROIFEEBH-UHFFFAOYSA-N Synonym: dimidium bromide,trypadine,3,8-diamino-5-methyl-6-phenylphenanthridinium bromide,phenanthridinium 1553,phenanthridinium compound 1553,phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide,2,7-diamino-10-methyl-9-phenylphenanthridinium bromide,3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide,phenanthridium 1553 PubChem CID: 68207 IUPAC Name: 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide SMILES: [Br-].C[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12
| PubChem CID | 68207 |
|---|---|
| CAS | 518-67-2 |
| Molecular Weight (g/mol) | 380.29 |
| MDL Number | MFCD00011757 |
| SMILES | [Br-].C[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12 |
| Synonym | dimidium bromide,trypadine,3,8-diamino-5-methyl-6-phenylphenanthridinium bromide,phenanthridinium 1553,phenanthridinium compound 1553,phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide,2,7-diamino-10-methyl-9-phenylphenanthridinium bromide,3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide,phenanthridium 1553 |
| IUPAC Name | 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide |
| InChI Key | MQOKYEROIFEEBH-UHFFFAOYSA-N |
| Molecular Formula | C20H18BrN3 |
Zonisamide
CAS: 68291-97-4 Molecular Formula: C8H8N2O3S Molecular Weight (g/mol): 212.22 MDL Number: MFCD00865316 InChI Key: UBQNRHZMVUUOMG-UHFFFAOYSA-N IUPAC Name: (1,2-benzoxazol-3-yl)methanesulfonamide SMILES: NS(=O)(=O)CC1=NOC2=CC=CC=C12
| CAS | 68291-97-4 |
|---|---|
| Molecular Weight (g/mol) | 212.22 |
| MDL Number | MFCD00865316 |
| SMILES | NS(=O)(=O)CC1=NOC2=CC=CC=C12 |
| IUPAC Name | (1,2-benzoxazol-3-yl)methanesulfonamide |
| InChI Key | UBQNRHZMVUUOMG-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3S |
1-Boc-indole, 97%
CAS: 75400-67-8 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.27 MDL Number: MFCD02093939 InChI Key: OWPIFQXNMLDXKW-UHFFFAOYSA-N Synonym: 1-boc-indole,tert-butyl 1h-indole-1-carboxylate,n-boc-indole,tert-butyl 1-indolecarboxylate,1h-indole-1-carboxylic acid, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl indole,n-boc indole,pubchem7228,acmc-1bjgd,1-tert-butoxycarbonylindole PubChem CID: 3532980 SMILES: CC(C)(C)OC(=O)N1C=CC2=CC=CC=C12
| PubChem CID | 3532980 |
|---|---|
| CAS | 75400-67-8 |
| Molecular Weight (g/mol) | 217.27 |
| MDL Number | MFCD02093939 |
| SMILES | CC(C)(C)OC(=O)N1C=CC2=CC=CC=C12 |
| Synonym | 1-boc-indole,tert-butyl 1h-indole-1-carboxylate,n-boc-indole,tert-butyl 1-indolecarboxylate,1h-indole-1-carboxylic acid, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl indole,n-boc indole,pubchem7228,acmc-1bjgd,1-tert-butoxycarbonylindole |
| InChI Key | OWPIFQXNMLDXKW-UHFFFAOYSA-N |
| Molecular Formula | C13H15NO2 |
1,2-Epoxyhexane, 97%
CAS: 1436-34-6 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.16 MDL Number: MFCD00005154 InChI Key: WHNBDXQTMPYBAT-UHFFFAOYSA-N Synonym: 1,2-epoxyhexane,butyloxirane,oxirane, butyl,1-hexene oxide,1-hexene epoxide,1,2-hexene oxide,epoxy-n-hexane,hexylene oxide,hexane, 1,2-epoxy,hexene, monooxide PubChem CID: 15036 IUPAC Name: 2-butyloxirane SMILES: CCCCC1CO1
| PubChem CID | 15036 |
|---|---|
| CAS | 1436-34-6 |
| Molecular Weight (g/mol) | 100.16 |
| MDL Number | MFCD00005154 |
| SMILES | CCCCC1CO1 |
| Synonym | 1,2-epoxyhexane,butyloxirane,oxirane, butyl,1-hexene oxide,1-hexene epoxide,1,2-hexene oxide,epoxy-n-hexane,hexylene oxide,hexane, 1,2-epoxy,hexene, monooxide |
| IUPAC Name | 2-butyloxirane |
| InChI Key | WHNBDXQTMPYBAT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
Pyridine hydrochloride, 98%
CAS: 628-13-7 Molecular Formula: C5H6ClN Molecular Weight (g/mol): 115.56 MDL Number: MFCD00012802 InChI Key: AOJFQRQNPXYVLM-UHFFFAOYSA-N Synonym: pyridine hydrochloride,pyridine, hydrochloride,pyridinehydrochloride,pyridine hcl,pyridine, hydrochloride 1:1,pyridine-hcl,pyridine.hcl,pyridiniumchloride,pyridine hcl salt,pyrdine hydrochloride PubChem CID: 10176127 IUPAC Name: pyridine;hydrochloride SMILES: C1=CC=NC=C1.Cl
| PubChem CID | 10176127 |
|---|---|
| CAS | 628-13-7 |
| Molecular Weight (g/mol) | 115.56 |
| MDL Number | MFCD00012802 |
| SMILES | C1=CC=NC=C1.Cl |
| Synonym | pyridine hydrochloride,pyridine, hydrochloride,pyridinehydrochloride,pyridine hcl,pyridine, hydrochloride 1:1,pyridine-hcl,pyridine.hcl,pyridiniumchloride,pyridine hcl salt,pyrdine hydrochloride |
| IUPAC Name | pyridine;hydrochloride |
| InChI Key | AOJFQRQNPXYVLM-UHFFFAOYSA-N |
| Molecular Formula | C5H6ClN |
6-chloropyridine-2-carboxylic acid, 97%
CAS: 4684-94-0 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.56 InChI Key: ZLKMOIHCHCMSFW-UHFFFAOYSA-N Synonym: 6-chloropicolinic acid,2-chloro-6-pyridinecarboxylic acid,6-chloro-2-pyridinecarboxylic acid,2-pyridinecarboxylic acid, 6-chloro,2-chloropyridine-6-carboxylic acid,6-chloro-2-picolinic acid,6-cpa,picolinic acid, 6-chloro,6-chloro-2-carboxy-pyridine,caswell no. 214b PubChem CID: 20812 IUPAC Name: 6-chloropyridine-2-carboxylic acid SMILES: C1=CC(=NC(=C1)Cl)C(=O)O
| PubChem CID | 20812 |
|---|---|
| CAS | 4684-94-0 |
| Molecular Weight (g/mol) | 157.56 |
| SMILES | C1=CC(=NC(=C1)Cl)C(=O)O |
| Synonym | 6-chloropicolinic acid,2-chloro-6-pyridinecarboxylic acid,6-chloro-2-pyridinecarboxylic acid,2-pyridinecarboxylic acid, 6-chloro,2-chloropyridine-6-carboxylic acid,6-chloro-2-picolinic acid,6-cpa,picolinic acid, 6-chloro,6-chloro-2-carboxy-pyridine,caswell no. 214b |
| IUPAC Name | 6-chloropyridine-2-carboxylic acid |
| InChI Key | ZLKMOIHCHCMSFW-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO2 |
2-Amino-6-picoline, 98%
CAS: 1824-81-3 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006331 InChI Key: QUXLCYFNVNNRBE-UHFFFAOYSA-N Synonym: 2-amino-6-methylpyridine,2-amino-6-picoline,6-amino-2-picoline,2-pyridinamine, 6-methyl,6-methyl-2-pyridinamine,6-methyl-2-pyridylamine,6-methyl-2-aminopyridine,2-picoline, 6-amino,6-amino-2-methylpyridine,pyridine, 2-amino-6-methyl PubChem CID: 15765 IUPAC Name: 6-methylpyridin-2-amine SMILES: CC1=CC=CC(N)=N1
| PubChem CID | 15765 |
|---|---|
| CAS | 1824-81-3 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00006331 |
| SMILES | CC1=CC=CC(N)=N1 |
| Synonym | 2-amino-6-methylpyridine,2-amino-6-picoline,6-amino-2-picoline,2-pyridinamine, 6-methyl,6-methyl-2-pyridinamine,6-methyl-2-pyridylamine,6-methyl-2-aminopyridine,2-picoline, 6-amino,6-amino-2-methylpyridine,pyridine, 2-amino-6-methyl |
| IUPAC Name | 6-methylpyridin-2-amine |
| InChI Key | QUXLCYFNVNNRBE-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
Tetrahydrothiopyran, 98%
CAS: 1613-51-0 Molecular Formula: C5H10S Molecular Weight (g/mol): 102.195 MDL Number: MFCD00006662 InChI Key: YPWFISCTZQNZAU-UHFFFAOYSA-N Synonym: pentamethylene sulfide,tetrahydrothiopyran,tetrahydro-2h-thiopyran,thiacyclohexane,2h-thiopyran, tetrahydro,penthiophane,tetrahydrothiapyran,tetrahydrothiopyrane,thian,thian-4-yl PubChem CID: 15367 IUPAC Name: thiane SMILES: C1CCSCC1
| PubChem CID | 15367 |
|---|---|
| CAS | 1613-51-0 |
| Molecular Weight (g/mol) | 102.195 |
| MDL Number | MFCD00006662 |
| SMILES | C1CCSCC1 |
| Synonym | pentamethylene sulfide,tetrahydrothiopyran,tetrahydro-2h-thiopyran,thiacyclohexane,2h-thiopyran, tetrahydro,penthiophane,tetrahydrothiapyran,tetrahydrothiopyrane,thian,thian-4-yl |
| IUPAC Name | thiane |
| InChI Key | YPWFISCTZQNZAU-UHFFFAOYSA-N |
| Molecular Formula | C5H10S |