Organoheterocyclic compounds
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Trazodone hydrochloride, 98+%
CAS: 25332-39-2 Molecular Formula: C19H23Cl2N5O Molecular Weight (g/mol): 408.327 MDL Number: MFCD00079603 InChI Key: OHHDIOKRWWOXMT-UHFFFAOYSA-N Synonym: trazodone hydrochloride,trazodone hcl,desyrel,bimaran,molipaxin,devidon,pragmazone,thombran,tombran,tritico PubChem CID: 62935 ChEBI: CHEBI:9655 IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride SMILES: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl
| PubChem CID | 62935 |
|---|---|
| CAS | 25332-39-2 |
| Molecular Weight (g/mol) | 408.327 |
| ChEBI | CHEBI:9655 |
| MDL Number | MFCD00079603 |
| SMILES | C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl.Cl |
| Synonym | trazodone hydrochloride,trazodone hcl,desyrel,bimaran,molipaxin,devidon,pragmazone,thombran,tombran,tritico |
| IUPAC Name | 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride |
| InChI Key | OHHDIOKRWWOXMT-UHFFFAOYSA-N |
| Molecular Formula | C19H23Cl2N5O |
3-Amino-6-cyano-2-methylpyridine, 95%, Thermo Scientific Chemicals
CAS: 1079054-78-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD08062828 InChI Key: SLBIKHREAIGBFI-UHFFFAOYSA-N Synonym: 5-amino-6-methylpicolinonitrile,6-cyano-2-methyl-3-aminopyridine,5-amino-6-methyl-2-pyridinecarbonitrile,5-amino-6-methyl-pyridine-2-carbonitrile PubChem CID: 55252984 IUPAC Name: 5-amino-6-methylpyridine-2-carbonitrile SMILES: CC1=C(C=CC(=N1)C#N)N
| PubChem CID | 55252984 |
|---|---|
| CAS | 1079054-78-6 |
| Molecular Weight (g/mol) | 133.154 |
| MDL Number | MFCD08062828 |
| SMILES | CC1=C(C=CC(=N1)C#N)N |
| Synonym | 5-amino-6-methylpicolinonitrile,6-cyano-2-methyl-3-aminopyridine,5-amino-6-methyl-2-pyridinecarbonitrile,5-amino-6-methyl-pyridine-2-carbonitrile |
| IUPAC Name | 5-amino-6-methylpyridine-2-carbonitrile |
| InChI Key | SLBIKHREAIGBFI-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3 |
Chloropyramine hydrochloride
CAS: 6170-42-9 Molecular Formula: C16H21Cl2N3 Molecular Weight (g/mol): 326.27 MDL Number: MFCD00079009 InChI Key: VEYWWAGBHABATA-UHFFFAOYSA-N Synonym: chloropyramine hydrochloride,chloropyramine hcl,alergosan,nilfan,allergan s hydrochloride,chlorpiramin hydrochloride,halopyramine hydrochloride,chlorpyramin hcl,chlorpyramine hydrochloride,unii-fwa92z14nn PubChem CID: 80311 IUPAC Name: hydrogen N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine chloride SMILES: [H+].[Cl-].CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1
| PubChem CID | 80311 |
|---|---|
| CAS | 6170-42-9 |
| Molecular Weight (g/mol) | 326.27 |
| MDL Number | MFCD00079009 |
| SMILES | [H+].[Cl-].CN(C)CCN(CC1=CC=C(Cl)C=C1)C1=CC=CC=N1 |
| Synonym | chloropyramine hydrochloride,chloropyramine hcl,alergosan,nilfan,allergan s hydrochloride,chlorpiramin hydrochloride,halopyramine hydrochloride,chlorpyramin hcl,chlorpyramine hydrochloride,unii-fwa92z14nn |
| IUPAC Name | hydrogen N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine chloride |
| InChI Key | VEYWWAGBHABATA-UHFFFAOYSA-N |
| Molecular Formula | C16H21Cl2N3 |
6-Chloro-2-fluoronicotinic acid, 95%
CAS: 1211578-46-9 Molecular Formula: C6H3ClFNO2 Molecular Weight (g/mol): 175.54 MDL Number: MFCD16610397 InChI Key: GSSVAHBRTISODE-UHFFFAOYSA-N Synonym: 6-chloro-2-fluoronicotinic acid,6-chloro-2-fluoro nicotinic acid,6-chloro-2-fluoronicotinicacid,6-chloro-2-fluoropyridin-3-carboxylic acid,6-chloro-2-fluoro-pyridine-3-carboxylic acid PubChem CID: 71464004 IUPAC Name: 6-chloro-2-fluoropyridine-3-carboxylic acid SMILES: OC(=O)C1=C(F)N=C(Cl)C=C1
| PubChem CID | 71464004 |
|---|---|
| CAS | 1211578-46-9 |
| Molecular Weight (g/mol) | 175.54 |
| MDL Number | MFCD16610397 |
| SMILES | OC(=O)C1=C(F)N=C(Cl)C=C1 |
| Synonym | 6-chloro-2-fluoronicotinic acid,6-chloro-2-fluoro nicotinic acid,6-chloro-2-fluoronicotinicacid,6-chloro-2-fluoropyridin-3-carboxylic acid,6-chloro-2-fluoro-pyridine-3-carboxylic acid |
| IUPAC Name | 6-chloro-2-fluoropyridine-3-carboxylic acid |
| InChI Key | GSSVAHBRTISODE-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClFNO2 |
2-Fluoro-4-methylpyridine, 98%
CAS: 461-87-0 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.119 MDL Number: MFCD00041224 InChI Key: ZBFAXMKJADVOGH-UHFFFAOYSA-N Synonym: 2-fluoro-4-picoline,2-fluoro-4-methyl-pyridine,pyridine, 2-fluoro-4-methyl,2-fluoro-4-methyl pyridine,pubchem1203,acmc-1aevi,4-methyl-2-fluoropyridine,2-fluoro-4-methylpyridine,,ksc494a2j PubChem CID: 2737403 IUPAC Name: 2-fluoro-4-methylpyridine SMILES: CC1=CC(=NC=C1)F
| PubChem CID | 2737403 |
|---|---|
| CAS | 461-87-0 |
| Molecular Weight (g/mol) | 111.119 |
| MDL Number | MFCD00041224 |
| SMILES | CC1=CC(=NC=C1)F |
| Synonym | 2-fluoro-4-picoline,2-fluoro-4-methyl-pyridine,pyridine, 2-fluoro-4-methyl,2-fluoro-4-methyl pyridine,pubchem1203,acmc-1aevi,4-methyl-2-fluoropyridine,2-fluoro-4-methylpyridine,,ksc494a2j |
| IUPAC Name | 2-fluoro-4-methylpyridine |
| InChI Key | ZBFAXMKJADVOGH-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
Ketotifen fumarate, 99%
CAS: 34580-14-8 Molecular Formula: C23H23NO5S Molecular Weight (g/mol): 425.499 MDL Number: MFCD00079394 InChI Key: YNQQEYBLVYAWNX-WLHGVMLRSA-N Synonym: ketotifen fumarate,zaditen,ketotifen hydrogen fumarate,alaway,unii-hbd503woro,hc 20,511 fumarate,ketotifen fumarate usan:jan,ketotifen fumarate salt,hbd503woro PubChem CID: 5282408 IUPAC Name: (E)-but-2-enedioic acid;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one SMILES: CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O
| PubChem CID | 5282408 |
|---|---|
| CAS | 34580-14-8 |
| Molecular Weight (g/mol) | 425.499 |
| MDL Number | MFCD00079394 |
| SMILES | CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O |
| Synonym | ketotifen fumarate,zaditen,ketotifen hydrogen fumarate,alaway,unii-hbd503woro,hc 20,511 fumarate,ketotifen fumarate usan:jan,ketotifen fumarate salt,hbd503woro |
| IUPAC Name | (E)-but-2-enedioic acid;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one |
| InChI Key | YNQQEYBLVYAWNX-WLHGVMLRSA-N |
| Molecular Formula | C23H23NO5S |
4-(3,4-Methylenedioxy)phenyl-2-butanone, 98%
CAS: 55418-52-5 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00016910 InChI Key: TZJLGGWGVLADDN-UHFFFAOYSA-N Synonym: piperonyl acetone,piperonylacetone,4-3,4-methylenedioxyphenyl-2-butanone,4-1,3-benzodioxol-5-yl-2-butanone,4-1,3-benzodioxol-5-yl butan-2-one,2-butanone, 4-1,3-benzodioxol-5-yl,unii-081vvc9h34,fema no. 2701,3,4-methylenedioxybenzylacetone,4-benzo d 1,3 dioxol-5-yl butan-2-one PubChem CID: 62098 IUPAC Name: 4-(1,3-benzodioxol-5-yl)butan-2-one SMILES: CC(=O)CCC1=CC2=C(C=C1)OCO2
| PubChem CID | 62098 |
|---|---|
| CAS | 55418-52-5 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00016910 |
| SMILES | CC(=O)CCC1=CC2=C(C=C1)OCO2 |
| Synonym | piperonyl acetone,piperonylacetone,4-3,4-methylenedioxyphenyl-2-butanone,4-1,3-benzodioxol-5-yl-2-butanone,4-1,3-benzodioxol-5-yl butan-2-one,2-butanone, 4-1,3-benzodioxol-5-yl,unii-081vvc9h34,fema no. 2701,3,4-methylenedioxybenzylacetone,4-benzo d 1,3 dioxol-5-yl butan-2-one |
| IUPAC Name | 4-(1,3-benzodioxol-5-yl)butan-2-one |
| InChI Key | TZJLGGWGVLADDN-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
1,2-Epoxydecane, 97%
CAS: 2404-44-6 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00005158 InChI Key: AAMHBRRZYSORSH-UHFFFAOYNA-N Synonym: 1,2-epoxydecane,oxirane, octyl,octyloxirane,oxirane, 2-octyl,1,2-decylene oxide,ccris 2615,epoxides, c>8-alkyl,decene oxide,epoxy decane,oxirane,octyl PubChem CID: 16993 IUPAC Name: 2-octyloxirane SMILES: CCCCCCCCC1CO1
| PubChem CID | 16993 |
|---|---|
| CAS | 2404-44-6 |
| Molecular Weight (g/mol) | 156.27 |
| MDL Number | MFCD00005158 |
| SMILES | CCCCCCCCC1CO1 |
| Synonym | 1,2-epoxydecane,oxirane, octyl,octyloxirane,oxirane, 2-octyl,1,2-decylene oxide,ccris 2615,epoxides, c>8-alkyl,decene oxide,epoxy decane,oxirane,octyl |
| IUPAC Name | 2-octyloxirane |
| InChI Key | AAMHBRRZYSORSH-UHFFFAOYNA-N |
| Molecular Formula | C10H20O |
Naloxone Hydrocloride, MP Biomedicals™
CAS: 357-08-4 Molecular Formula: C19H22ClNO4 Molecular Weight (g/mol): 363.84 InChI Key: RGPDIGOSVORSAK-STHHAXOLSA-N Synonym: Narcan,EN-1530,(5α)-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-one hydrochloride,17-allyl-4,5α- epoxy-3,14-dihydroxymorphinan-6-one hydrochloride
| CAS | 357-08-4 |
|---|---|
| Molecular Weight (g/mol) | 363.84 |
| Synonym | Narcan,EN-1530,(5α)-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-one hydrochloride,17-allyl-4,5α- epoxy-3,14-dihydroxymorphinan-6-one hydrochloride |
| InChI Key | RGPDIGOSVORSAK-STHHAXOLSA-N |
| Molecular Formula | C19H22ClNO4 |
2-Chloro-6-methylpyridine, 98%
CAS: 18368-63-3 Molecular Formula: C6H6ClN Molecular Weight (g/mol): 127.57 MDL Number: MFCD00006245 InChI Key: GXZDYRYYNXYPMQ-UHFFFAOYSA-N Synonym: 6-chloro-2-picoline,6-chloro-2-methylpyridine,pyridine, 2-chloro-6-methyl,2-chloro-6-picoline,2-picoline, 6-chloro,unii-39mx1lq68l,2-chloro-6-methyl pyridine,2-chloro-6-methyl-pyridine,2-chloro-6-methy pyridine PubChem CID: 87601 IUPAC Name: 2-chloro-6-methylpyridine SMILES: CC1=CC=CC(Cl)=N1
| PubChem CID | 87601 |
|---|---|
| CAS | 18368-63-3 |
| Molecular Weight (g/mol) | 127.57 |
| MDL Number | MFCD00006245 |
| SMILES | CC1=CC=CC(Cl)=N1 |
| Synonym | 6-chloro-2-picoline,6-chloro-2-methylpyridine,pyridine, 2-chloro-6-methyl,2-chloro-6-picoline,2-picoline, 6-chloro,unii-39mx1lq68l,2-chloro-6-methyl pyridine,2-chloro-6-methyl-pyridine,2-chloro-6-methy pyridine |
| IUPAC Name | 2-chloro-6-methylpyridine |
| InChI Key | GXZDYRYYNXYPMQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClN |
trans-Stilbene oxide, 99%, Thermo Scientific Chemicals
CAS: 1439-07-2 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00064311 InChI Key: ARCJQKUWGAZPFX-KWCCSABGSA-N Synonym: trans-stilbene oxide,3r-2,3-diphenyloxirane,2r-2alpha,3-diphenyloxirane PubChem CID: 5742860 IUPAC Name: (3R)-2,3-diphenyloxirane SMILES: C1=CC=C(C=C1)C2C(O2)C3=CC=CC=C3
| PubChem CID | 5742860 |
|---|---|
| CAS | 1439-07-2 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00064311 |
| SMILES | C1=CC=C(C=C1)C2C(O2)C3=CC=CC=C3 |
| Synonym | trans-stilbene oxide,3r-2,3-diphenyloxirane,2r-2alpha,3-diphenyloxirane |
| IUPAC Name | (3R)-2,3-diphenyloxirane |
| InChI Key | ARCJQKUWGAZPFX-KWCCSABGSA-N |
| Molecular Formula | C14H12O |
2-Amino-3-picoline, 96%
CAS: 1603-40-3 Molecular Formula: C6H8N2 Molecular Weight (g/mol): 108.14 MDL Number: MFCD00006320 InChI Key: RGDQRXPEZUNWHX-UHFFFAOYSA-N Synonym: 2-amino-3-picoline,2-amino-3-methylpyridine,2-pyridinamine, 3-methyl,3-methyl-2-pyridinamine,3-methyl-2-aminopyridine,3-methyl-2-pyridylamine,3-picoline, 2-amino,2-amino-3-methyl pyridine,2-amino-beta-picoline,pyridine, 2-amino-3-methyl PubChem CID: 15347 IUPAC Name: 3-methylpyridin-2-amine SMILES: CC1=C(N=CC=C1)N
| PubChem CID | 15347 |
|---|---|
| CAS | 1603-40-3 |
| Molecular Weight (g/mol) | 108.14 |
| MDL Number | MFCD00006320 |
| SMILES | CC1=C(N=CC=C1)N |
| Synonym | 2-amino-3-picoline,2-amino-3-methylpyridine,2-pyridinamine, 3-methyl,3-methyl-2-pyridinamine,3-methyl-2-aminopyridine,3-methyl-2-pyridylamine,3-picoline, 2-amino,2-amino-3-methyl pyridine,2-amino-beta-picoline,pyridine, 2-amino-3-methyl |
| IUPAC Name | 3-methylpyridin-2-amine |
| InChI Key | RGDQRXPEZUNWHX-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2 |
delta-Valerolactone, 99%
CAS: 542-28-9 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00006645 InChI Key: OZJPLYNZGCXSJM-UHFFFAOYSA-N Synonym: delta-valerolactone,tetrahydro-2h-pyran-2-one,5-valerolactone,2h-pyran-2-one, tetrahydro,tetrahydropyran-2-one,tetrahydro-2-pyranone,penta-1,5-lactone,.delta.-valerolactone,.delta.-valeryllactone,tetrahydro-pyran-2-one PubChem CID: 10953 ChEBI: CHEBI:16545 IUPAC Name: oxan-2-one SMILES: O=C1CCCCO1
| PubChem CID | 10953 |
|---|---|
| CAS | 542-28-9 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:16545 |
| MDL Number | MFCD00006645 |
| SMILES | O=C1CCCCO1 |
| Synonym | delta-valerolactone,tetrahydro-2h-pyran-2-one,5-valerolactone,2h-pyran-2-one, tetrahydro,tetrahydropyran-2-one,tetrahydro-2-pyranone,penta-1,5-lactone,.delta.-valerolactone,.delta.-valeryllactone,tetrahydro-pyran-2-one |
| IUPAC Name | oxan-2-one |
| InChI Key | OZJPLYNZGCXSJM-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
6-Chloronicotinic acid, 99%
CAS: 5326-23-8 Molecular Formula: C6H4ClNO2 Molecular Weight (g/mol): 157.56 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) | 157.56 |
| 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 |
6-Hydroxynicotinic acid, 98+%
CAS: 5006-66-6 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00006277 InChI Key: BLHCMGRVFXRYRN-UHFFFAOYSA-N Synonym: 6-hydroxynicotinic acid,2-hydroxy-5-pyridinecarboxylic acid,6-hydroxypyridine-3-carboxylic acid,6-hydroxy nicotinic acid,3-pyridinecarboxylic acid, 1,6-dihydro-6-oxo,2-hydroxypyridine-5-carboxylic acid,2-pyridone-5-carboxylic acid,6-hydroxy-nicotinic acid,6-hydroxynicotinate,1,6-dihydro-6-oxo-3-pyridinecarboxylic acid PubChem CID: 72924 ChEBI: CHEBI:16168 IUPAC Name: 6-oxo-1H-pyridine-3-carboxylic acid SMILES: C1=CC(=O)NC=C1C(=O)O
| PubChem CID | 72924 |
|---|---|
| CAS | 5006-66-6 |
| Molecular Weight (g/mol) | 139.11 |
| ChEBI | CHEBI:16168 |
| MDL Number | MFCD00006277 |
| SMILES | C1=CC(=O)NC=C1C(=O)O |
| Synonym | 6-hydroxynicotinic acid,2-hydroxy-5-pyridinecarboxylic acid,6-hydroxypyridine-3-carboxylic acid,6-hydroxy nicotinic acid,3-pyridinecarboxylic acid, 1,6-dihydro-6-oxo,2-hydroxypyridine-5-carboxylic acid,2-pyridone-5-carboxylic acid,6-hydroxy-nicotinic acid,6-hydroxynicotinate,1,6-dihydro-6-oxo-3-pyridinecarboxylic acid |
| IUPAC Name | 6-oxo-1H-pyridine-3-carboxylic acid |
| InChI Key | BLHCMGRVFXRYRN-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |