Organoheterocyclic compounds
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3,5-Dimethylpyrazole 98.0+%, TCI America™
CAS: 67-51-6 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005243 InChI Key: SDXAWLJRERMRKF-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 PubChem CID: 6210 IUPAC Name: 3,5-dimethyl-1H-pyrazole SMILES: CC1=CC(C)=NN1
| PubChem CID | 6210 |
|---|---|
| CAS | 67-51-6 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00005243 |
| SMILES | CC1=CC(C)=NN1 |
| Synonym | 3,5-dimethylpyrazole,1h-pyrazole, 3,5-dimethyl,3,5 dmp,pyrazole, 3,5-dimethyl,3,5-dwumetylopirazolu,unii-h21n865k9j,3,5-dwumetylopirazolu polish,3,5-dimethyl pyrazole,pyrazole,5-dimethyl,pubchem13256 |
| IUPAC Name | 3,5-dimethyl-1H-pyrazole |
| InChI Key | SDXAWLJRERMRKF-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2 |
cis-1,3-Dibenzyl-2-oxo-4,5-imidazolidinedicarboxylic Acid 98.0+%, TCI America™
CAS: 51591-75-4 Molecular Formula: C19H18N2O5 Molecular Weight (g/mol): 354.36 MDL Number: MFCD06798134 InChI Key: QSMUFXXTSUEZJA-UHFFFAOYNA-N PubChem CID: 9841512 IUPAC Name: 1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid SMILES: OC(=O)C1C(N(CC2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1)C(O)=O
| PubChem CID | 9841512 |
|---|---|
| CAS | 51591-75-4 |
| Molecular Weight (g/mol) | 354.36 |
| MDL Number | MFCD06798134 |
| SMILES | OC(=O)C1C(N(CC2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1)C(O)=O |
| IUPAC Name | 1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid |
| InChI Key | QSMUFXXTSUEZJA-UHFFFAOYNA-N |
| Molecular Formula | C19H18N2O5 |
Donepezil Hydrochloride 98.0+%, TCI America™
CAS: 120011-70-3 Molecular Formula: C24H30ClNO3 Molecular Weight (g/mol): 415.96 MDL Number: MFCD00881312 InChI Key: XWAIAVWHZJNZQQ-UHFFFAOYNA-N Synonym: donepezil hydrochloride,donepezil hcl,aricept,bnag,donepezilhcl,aricept odt,2-1-benzylpiperidin-4-yl methyl-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one hydrochloride,e 2020 pharmaceutical,eranz PubChem CID: 5741 ChEBI: CHEBI:4696 IUPAC Name: hydrogen 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one chloride SMILES: [H+].[Cl-].COC1=CC2=C(C=C1OC)C(=O)C(CC1CCN(CC3=CC=CC=C3)CC1)C2
| PubChem CID | 5741 |
|---|---|
| CAS | 120011-70-3 |
| Molecular Weight (g/mol) | 415.96 |
| ChEBI | CHEBI:4696 |
| MDL Number | MFCD00881312 |
| SMILES | [H+].[Cl-].COC1=CC2=C(C=C1OC)C(=O)C(CC1CCN(CC3=CC=CC=C3)CC1)C2 |
| Synonym | donepezil hydrochloride,donepezil hcl,aricept,bnag,donepezilhcl,aricept odt,2-1-benzylpiperidin-4-yl methyl-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one hydrochloride,e 2020 pharmaceutical,eranz |
| IUPAC Name | hydrogen 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one chloride |
| InChI Key | XWAIAVWHZJNZQQ-UHFFFAOYNA-N |
| Molecular Formula | C24H30ClNO3 |
3,4-Dihydro-6-hydroxy-2(1H)-quinolinone 98.0+%, TCI America™
CAS: 54197-66-9 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD02179410 InChI Key: HOSGXJWQVBHGLT-UHFFFAOYSA-N Synonym: 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone, 6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline PubChem CID: 2774040 IUPAC Name: 6-hydroxy-3,4-dihydro-1H-quinolin-2-one SMILES: C1CC(=O)NC2=C1C=C(C=C2)O
| PubChem CID | 2774040 |
|---|---|
| CAS | 54197-66-9 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD02179410 |
| SMILES | C1CC(=O)NC2=C1C=C(C=C2)O |
| Synonym | 6-Hydroxy-3,4-dihydro-2(1H)-quinolinone, 6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 6-hydroxy-3,4-dihydro-1H-quinolin-2-one |
| InChI Key | HOSGXJWQVBHGLT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
2,5-Dimethylbenzoxazole 98.0+%, TCI America™
CAS: 5676-58-4 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00005773 InChI Key: XVQGFGKAPKEUFT-UHFFFAOYSA-N Synonym: 2,5-dimethylbenzoxazole,2,5-dimethylbenzo d oxazole,benzoxazole, 2,5-dimethyl,2,5-dimethyl benzoxazole,pubchem8640,acmc-209lua,benzoxazole,5-dimethyl,2,5-dimethyl-benzoxazole,benzoxazole,2,5-dimethyl,# PubChem CID: 21884 IUPAC Name: 2,5-dimethyl-1,3-benzoxazole SMILES: CC1=CC2=C(C=C1)OC(=N2)C
| PubChem CID | 21884 |
|---|---|
| CAS | 5676-58-4 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00005773 |
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C |
| Synonym | 2,5-dimethylbenzoxazole,2,5-dimethylbenzo d oxazole,benzoxazole, 2,5-dimethyl,2,5-dimethyl benzoxazole,pubchem8640,acmc-209lua,benzoxazole,5-dimethyl,2,5-dimethyl-benzoxazole,benzoxazole,2,5-dimethyl,# |
| IUPAC Name | 2,5-dimethyl-1,3-benzoxazole |
| InChI Key | XVQGFGKAPKEUFT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
3,4-Dihydro-7-hydroxy-2(1H)-quinolinone 98.0+%, TCI America™
CAS: 22246-18-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD06410891 InChI Key: LKLSFDWYIBUGNT-UHFFFAOYSA-N Synonym: 3,4-dihydro-7-hydroxy-2 1h-quinolinone,7-hydroxy-3,4-dihydroquinolin-2 1h-one,7-hydroxy-3,4-dihydro-2 1h-quinolinone,3,4-dihydro-7-hydroxycarbostyril,7-hydroxy-3,4-dihydro-quinolin-2-one,7-hydroxy-3,4-dihydrocarbostyril,7-hydroxy-3,4-dihydro carbostyril,7-hydroxy-1,2,3,4-tetrahydroquinolin-2-one,2 1h-quinolinone, 3,4-dihydro-7-hydroxy,7-hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline PubChem CID: 2785758 IUPAC Name: 7-hydroxy-3,4-dihydro-1H-quinolin-2-one SMILES: C1CC(=O)NC2=C1C=CC(=C2)O
| PubChem CID | 2785758 |
|---|---|
| CAS | 22246-18-0 |
| Molecular Weight (g/mol) | 163.176 |
| MDL Number | MFCD06410891 |
| SMILES | C1CC(=O)NC2=C1C=CC(=C2)O |
| Synonym | 3,4-dihydro-7-hydroxy-2 1h-quinolinone,7-hydroxy-3,4-dihydroquinolin-2 1h-one,7-hydroxy-3,4-dihydro-2 1h-quinolinone,3,4-dihydro-7-hydroxycarbostyril,7-hydroxy-3,4-dihydro-quinolin-2-one,7-hydroxy-3,4-dihydrocarbostyril,7-hydroxy-3,4-dihydro carbostyril,7-hydroxy-1,2,3,4-tetrahydroquinolin-2-one,2 1h-quinolinone, 3,4-dihydro-7-hydroxy,7-hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 7-hydroxy-3,4-dihydro-1H-quinolin-2-one |
| InChI Key | LKLSFDWYIBUGNT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
6-Chlorouracil 98.0+%, TCI America™
CAS: 4270-27-3 Molecular Formula: C4H3ClN2O2 Molecular Weight (g/mol): 146.53 MDL Number: MFCD00014595 InChI Key: PKUFNWPSFCOSLU-UHFFFAOYSA-N Synonym: 6-chlorouracil,6-chloropyrimidine-2,4 1h,3h-dione,4-chlorouracil,6-chloropyrimidine-2,4-diol,6-chloro-2,4 1h,3h-pyrimidinedione,6-chloro-2,4-dihydroxypyrimidine,6-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione,6-chloro-2,4-pyrimidinediol,6-chloro-1,3-dihydropyrimidine-2,4-dione,4-chloro-2,6-dihydroxypyrimidine PubChem CID: 73272 IUPAC Name: 6-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: ClC1=CC(=O)NC(=O)N1
| PubChem CID | 73272 |
|---|---|
| CAS | 4270-27-3 |
| Molecular Weight (g/mol) | 146.53 |
| MDL Number | MFCD00014595 |
| SMILES | ClC1=CC(=O)NC(=O)N1 |
| Synonym | 6-chlorouracil,6-chloropyrimidine-2,4 1h,3h-dione,4-chlorouracil,6-chloropyrimidine-2,4-diol,6-chloro-2,4 1h,3h-pyrimidinedione,6-chloro-2,4-dihydroxypyrimidine,6-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione,6-chloro-2,4-pyrimidinediol,6-chloro-1,3-dihydropyrimidine-2,4-dione,4-chloro-2,6-dihydroxypyrimidine |
| IUPAC Name | 6-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | PKUFNWPSFCOSLU-UHFFFAOYSA-N |
| Molecular Formula | C4H3ClN2O2 |
2,6-Diaminopyridine 98.0+%, TCI America™
CAS: 141-86-6 Molecular Formula: C5H7N3 Molecular Weight (g/mol): 109.132 MDL Number: MFCD00006329 InChI Key: VHNQIURBCCNWDN-UHFFFAOYSA-N Synonym: 2,6-diaminopyridine,2,6-pyridinediamine,2,6-diamino pyridine,pyridine, 2,6-diamino,dap amine,pyridine-2,6-diyldiamine,unii-k89ab8ckg6,ccris 6682,k89ab8ckg6,dsstox_cid_20127 PubChem CID: 8861 IUPAC Name: pyridine-2,6-diamine SMILES: C1=CC(=NC(=C1)N)N
| PubChem CID | 8861 |
|---|---|
| CAS | 141-86-6 |
| Molecular Weight (g/mol) | 109.132 |
| MDL Number | MFCD00006329 |
| SMILES | C1=CC(=NC(=C1)N)N |
| Synonym | 2,6-diaminopyridine,2,6-pyridinediamine,2,6-diamino pyridine,pyridine, 2,6-diamino,dap amine,pyridine-2,6-diyldiamine,unii-k89ab8ckg6,ccris 6682,k89ab8ckg6,dsstox_cid_20127 |
| IUPAC Name | pyridine-2,6-diamine |
| InChI Key | VHNQIURBCCNWDN-UHFFFAOYSA-N |
| Molecular Formula | C5H7N3 |
2,3-Dimethylquinoxaline 98.0+%, TCI America™
CAS: 2379-55-7 Molecular Formula: C10H10N2 Molecular Weight (g/mol): 158.204 MDL Number: MFCD00006728 InChI Key: FKHNZQFCDGOQGV-UHFFFAOYSA-N PubChem CID: 16925 IUPAC Name: 2,3-dimethylquinoxaline SMILES: CC1=NC2=CC=CC=C2N=C1C
| PubChem CID | 16925 |
|---|---|
| CAS | 2379-55-7 |
| Molecular Weight (g/mol) | 158.204 |
| MDL Number | MFCD00006728 |
| SMILES | CC1=NC2=CC=CC=C2N=C1C |
| IUPAC Name | 2,3-dimethylquinoxaline |
| InChI Key | FKHNZQFCDGOQGV-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2 |
2-Chloro-4-methyl-3-nitropyridine 98.0+%, TCI America™
CAS: 23056-39-5 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 InChI Key: JHARVUVBTAAPLA-UHFFFAOYSA-N Synonym: 2-chloro-3-nitro-4-picoline,pyridine, 2-chloro-4-methyl-3-nitro,2-chloro-3-nitro-4-methylpyridine,2-chloro-4-methyl-3-nitro-pyridine,pubchem6148,acmc-1cui4,2-chloro-3-nitro4-picoline,ksc496c3n,2-chlor-4-methyl-3-nitropyridin PubChem CID: 345363 IUPAC Name: 2-chloro-4-methyl-3-nitropyridine SMILES: CC1=C(C(=NC=C1)Cl)[N+](=O)[O-]
| PubChem CID | 345363 |
|---|---|
| CAS | 23056-39-5 |
| Molecular Weight (g/mol) | 172.568 |
| SMILES | CC1=C(C(=NC=C1)Cl)[N+](=O)[O-] |
| Synonym | 2-chloro-3-nitro-4-picoline,pyridine, 2-chloro-4-methyl-3-nitro,2-chloro-3-nitro-4-methylpyridine,2-chloro-4-methyl-3-nitro-pyridine,pubchem6148,acmc-1cui4,2-chloro-3-nitro4-picoline,ksc496c3n,2-chlor-4-methyl-3-nitropyridin |
| IUPAC Name | 2-chloro-4-methyl-3-nitropyridine |
| InChI Key | JHARVUVBTAAPLA-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O2 |
6-Chloronicotinic Acid 98.0+%, TCI America™
CAS: 5326-23-8 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.553 MDL Number: MFCD00006241 InChI Key: UAWMVMPAYRWUFX-UHFFFAOYSA-N Synonym: 6-chloronicotinic acid,6-chloro-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 6-chloro,6-chloro-nicotinic acid,6-chloro nicotinic acid,2-chloro-5-pyridinecarboxylic acid,2-chloropyridine-5-carboxylic acid,6-chlornicotins,6chloronichotinicacid,2-chloroncotinic acid PubChem CID: 79222 IUPAC Name: 6-chloropyridine-3-carboxylic acid SMILES: C1=CC(=NC=C1C(=O)O)Cl
| PubChem CID | 79222 |
|---|---|
| CAS | 5326-23-8 |
| Molecular Weight (g/mol) | 157.553 |
| MDL Number | MFCD00006241 |
| SMILES | C1=CC(=NC=C1C(=O)O)Cl |
| Synonym | 6-chloronicotinic acid,6-chloro-3-pyridinecarboxylic acid,3-pyridinecarboxylic acid, 6-chloro,6-chloro-nicotinic acid,6-chloro nicotinic acid,2-chloro-5-pyridinecarboxylic acid,2-chloropyridine-5-carboxylic acid,6-chlornicotins,6chloronichotinicacid,2-chloroncotinic acid |
| IUPAC Name | 6-chloropyridine-3-carboxylic acid |
| InChI Key | UAWMVMPAYRWUFX-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO2 |
4-(4-Cyanophenyl)morpholine 98.0+%, TCI America™
CAS: 10282-31-2 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 InChI Key: ZSCUWVQXQDCSRV-UHFFFAOYSA-N Synonym: 4-morpholinobenzonitrile,4-4-cyanophenyl morpholine,4-morpholin-4-yl benzonitrile,4-4-morpholinyl benzonitrile,4-morpholin-4-yl-benzonitrile,benzonitrile, 4-4-morpholinyl,benzonitrile,4-4-morpholinyl,4-morpholin-4-ylbenzenecarbonitrile,pubchem18708,acmc-1bqst PubChem CID: 394808 IUPAC Name: 4-morpholin-4-ylbenzonitrile SMILES: C1COCCN1C2=CC=C(C=C2)C#N
| PubChem CID | 394808 |
|---|---|
| CAS | 10282-31-2 |
| Molecular Weight (g/mol) | 188.23 |
| SMILES | C1COCCN1C2=CC=C(C=C2)C#N |
| Synonym | 4-morpholinobenzonitrile,4-4-cyanophenyl morpholine,4-morpholin-4-yl benzonitrile,4-4-morpholinyl benzonitrile,4-morpholin-4-yl-benzonitrile,benzonitrile, 4-4-morpholinyl,benzonitrile,4-4-morpholinyl,4-morpholin-4-ylbenzenecarbonitrile,pubchem18708,acmc-1bqst |
| IUPAC Name | 4-morpholin-4-ylbenzonitrile |
| InChI Key | ZSCUWVQXQDCSRV-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2O |
1,3-Dioxane 98.0+%, TCI America™
CAS: 505-22-6 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00006566 InChI Key: VDFVNEFVBPFDSB-UHFFFAOYSA-N Synonym: m-dioxane,1,3-dioxacyclohexane,meta-dioxane,1,3-propanediol formal,m-dioxin, dihydro,trimethylene glycol methylene ether,dihydro-m-dioxin,unii-b2c8m17i09,ccris 5911,2,4-dioxane PubChem CID: 10450 ChEBI: CHEBI:46924 IUPAC Name: 1,3-dioxane SMILES: C1COCOC1
| PubChem CID | 10450 |
|---|---|
| CAS | 505-22-6 |
| Molecular Weight (g/mol) | 88.106 |
| ChEBI | CHEBI:46924 |
| MDL Number | MFCD00006566 |
| SMILES | C1COCOC1 |
| Synonym | m-dioxane,1,3-dioxacyclohexane,meta-dioxane,1,3-propanediol formal,m-dioxin, dihydro,trimethylene glycol methylene ether,dihydro-m-dioxin,unii-b2c8m17i09,ccris 5911,2,4-dioxane |
| IUPAC Name | 1,3-dioxane |
| InChI Key | VDFVNEFVBPFDSB-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Lamotrigine 98.0+%, TCI America™
CAS: 84057-84-1 Molecular Formula: C9H7Cl2N5 Molecular Weight (g/mol): 256.09 MDL Number: MFCD00865333 InChI Key: PYZRQGJRPPTADH-UHFFFAOYSA-N Synonym: lamotrigine,6-2,3-dichlorophenyl-1,2,4-triazine-3,5-diamine,lamictal,lamictal cd,lamotrigina,lamotriginum,lamictal xr,lamotriginum latin,lamotrigina spanish,lamictal odt PubChem CID: 3878 ChEBI: CHEBI:6367 IUPAC Name: 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine SMILES: NC1=NN=C(C(N)=N1)C1=CC=CC(Cl)=C1Cl
| PubChem CID | 3878 |
|---|---|
| CAS | 84057-84-1 |
| Molecular Weight (g/mol) | 256.09 |
| ChEBI | CHEBI:6367 |
| MDL Number | MFCD00865333 |
| SMILES | NC1=NN=C(C(N)=N1)C1=CC=CC(Cl)=C1Cl |
| Synonym | lamotrigine,6-2,3-dichlorophenyl-1,2,4-triazine-3,5-diamine,lamictal,lamictal cd,lamotrigina,lamotriginum,lamictal xr,lamotriginum latin,lamotrigina spanish,lamictal odt |
| IUPAC Name | 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine |
| InChI Key | PYZRQGJRPPTADH-UHFFFAOYSA-N |
| Molecular Formula | C9H7Cl2N5 |
Diethyl (1,3-Dithian-2-yl)phosphonate 93.0+%, TCI America™
CAS: 62999-73-9 Molecular Formula: C8H17O3PS2 Molecular Weight (g/mol): 256.315 InChI Key: BGXBJZCFBVTFFP-UHFFFAOYSA-N Synonym: (1,3-Dithian-2-yl)phosphonic Acid Diethyl Ester PubChem CID: 10869064 IUPAC Name: 2-diethoxyphosphoryl-1,3-dithiane SMILES: CCOP(=O)(C1SCCCS1)OCC
| PubChem CID | 10869064 |
|---|---|
| CAS | 62999-73-9 |
| Molecular Weight (g/mol) | 256.315 |
| SMILES | CCOP(=O)(C1SCCCS1)OCC |
| Synonym | (1,3-Dithian-2-yl)phosphonic Acid Diethyl Ester |
| IUPAC Name | 2-diethoxyphosphoryl-1,3-dithiane |
| InChI Key | BGXBJZCFBVTFFP-UHFFFAOYSA-N |
| Molecular Formula | C8H17O3PS2 |