Organoheterocyclic compounds
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1,2-Epoxydodecane 95.0+%, TCI America™
CAS: 2855-19-8 Molecular Formula: C12H24O Molecular Weight (g/mol): 184.323 MDL Number: MFCD00005150 InChI Key: MPGABYXKKCLIRW-UHFFFAOYSA-N Synonym: 1,2-epoxydodecane,1-dodecene oxide,oxirane, decyl,decyloxirane,decyl oxirane,dodecene epoxide,1,2-dodecane oxide,1,2-dodecene oxide,1,2-epoxy-n-dodecene,nedox 1200 PubChem CID: 17858 IUPAC Name: 2-decyloxirane SMILES: CCCCCCCCCCC1CO1
| PubChem CID | 17858 |
|---|---|
| CAS | 2855-19-8 |
| Molecular Weight (g/mol) | 184.323 |
| MDL Number | MFCD00005150 |
| SMILES | CCCCCCCCCCC1CO1 |
| Synonym | 1,2-epoxydodecane,1-dodecene oxide,oxirane, decyl,decyloxirane,decyl oxirane,dodecene epoxide,1,2-dodecane oxide,1,2-dodecene oxide,1,2-epoxy-n-dodecene,nedox 1200 |
| IUPAC Name | 2-decyloxirane |
| InChI Key | MPGABYXKKCLIRW-UHFFFAOYSA-N |
| Molecular Formula | C12H24O |
Carvedilol 98.0+%, TCI America™
CAS: 72956-09-3 Molecular Formula: C24H26N2O4 Molecular Weight (g/mol): 406.48 MDL Number: MFCD00864692,MFCD00869663 InChI Key: OGHNVEJMJSYVRP-UHFFFAOYNA-N Synonym: carvedilol,coreg,dilatrend,carvedilolum,eucardic,carvedilolum latin,kredex,querto,1-9h-carbazol-4-yloxy-3-2-2-methoxyphenoxy ethyl amino-2-propanol,1-9h-carbazol-4-yl oxy-3-2-2-methoxyphenoxy ethyl amino propan-2-ol PubChem CID: 2585 ChEBI: CHEBI:3441 IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol SMILES: COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=C(N2)C=CC=C1
| PubChem CID | 2585 |
|---|---|
| CAS | 72956-09-3 |
| Molecular Weight (g/mol) | 406.48 |
| ChEBI | CHEBI:3441 |
| MDL Number | MFCD00864692,MFCD00869663 |
| SMILES | COC1=CC=CC=C1OCCNCC(O)COC1=CC=CC2=C1C1=C(N2)C=CC=C1 |
| Synonym | carvedilol,coreg,dilatrend,carvedilolum,eucardic,carvedilolum latin,kredex,querto,1-9h-carbazol-4-yloxy-3-2-2-methoxyphenoxy ethyl amino-2-propanol,1-9h-carbazol-4-yl oxy-3-2-2-methoxyphenoxy ethyl amino propan-2-ol |
| IUPAC Name | 1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol |
| InChI Key | OGHNVEJMJSYVRP-UHFFFAOYNA-N |
| Molecular Formula | C24H26N2O4 |
2-Methyl-5-nitroimidazole-1-ethanol 99.0+%, TCI America™
CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 MDL Number: MFCD00009750 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]
| PubChem CID | 4173 |
|---|---|
| CAS | 443-48-1 |
| Molecular Weight (g/mol) | 171.156 |
| ChEBI | CHEBI:6909 |
| MDL Number | MFCD00009750 |
| SMILES | CC1=NC=C(N1CCO)[N+](=O)[O-] |
| Synonym | metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol |
| IUPAC Name | 2-(2-methyl-5-nitroimidazol-1-yl)ethanol |
| InChI Key | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Molecular Formula | C6H9N3O3 |
Borane - 2-Methylpyridine Complex 85.0+%, TCI America™
CAS: 3999-38-0 Molecular Formula: C6H10BN Molecular Weight (g/mol): 106.96 MDL Number: MFCD07784361 InChI Key: ZMASBEFBIXMNCP-UHFFFAOYSA-N Synonym: Borane - 2-Picoline Complex, 2-Picoline Borane, 2-Methylpyridine Borane IUPAC Name: 2-methylpyridine borane SMILES: B.CC1=CC=CC=N1
| CAS | 3999-38-0 |
|---|---|
| Molecular Weight (g/mol) | 106.96 |
| MDL Number | MFCD07784361 |
| SMILES | B.CC1=CC=CC=N1 |
| Synonym | Borane - 2-Picoline Complex, 2-Picoline Borane, 2-Methylpyridine Borane |
| IUPAC Name | 2-methylpyridine borane |
| InChI Key | ZMASBEFBIXMNCP-UHFFFAOYSA-N |
| Molecular Formula | C6H10BN |
1,2-Butylene Oxide 99.0+%, TCI America™
CAS: 106-88-7 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00005153 InChI Key: RBACIKXCRWGCBB-UHFFFAOYSA-N Synonym: 1,2-epoxybutane,1,2-butylene oxide,oxirane, ethyl,ethyloxirane,1,2-butene oxide,ethylethylene oxide,1-butene oxide,oxirane, 2-ethyl,butane, epoxy,1-butylene oxide PubChem CID: 7834 ChEBI: CHEBI:82326 IUPAC Name: 2-ethyloxirane SMILES: CCC1CO1
| PubChem CID | 7834 |
|---|---|
| CAS | 106-88-7 |
| Molecular Weight (g/mol) | 72.107 |
| ChEBI | CHEBI:82326 |
| MDL Number | MFCD00005153 |
| SMILES | CCC1CO1 |
| Synonym | 1,2-epoxybutane,1,2-butylene oxide,oxirane, ethyl,ethyloxirane,1,2-butene oxide,ethylethylene oxide,1-butene oxide,oxirane, 2-ethyl,butane, epoxy,1-butylene oxide |
| IUPAC Name | 2-ethyloxirane |
| InChI Key | RBACIKXCRWGCBB-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
Nalidixic Acid 95.0+%, TCI America™
CAS: 389-08-2 Molecular Formula: C12H12N2O3 Molecular Weight (g/mol): 232.239 MDL Number: MFCD00006884 InChI Key: MHWLWQUZZRMNGJ-UHFFFAOYSA-N Synonym: nalidixic acid,nalidixin,nevigramon,nalidixate,uronidix,innoxalon,nalidixan,nalitucsan,sicmylon,unaserus PubChem CID: 4421 ChEBI: CHEBI:100147 IUPAC Name: 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O
| PubChem CID | 4421 |
|---|---|
| CAS | 389-08-2 |
| Molecular Weight (g/mol) | 232.239 |
| ChEBI | CHEBI:100147 |
| MDL Number | MFCD00006884 |
| SMILES | CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O |
| Synonym | nalidixic acid,nalidixin,nevigramon,nalidixate,uronidix,innoxalon,nalidixan,nalitucsan,sicmylon,unaserus |
| IUPAC Name | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid |
| InChI Key | MHWLWQUZZRMNGJ-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O3 |
Aztreonam 98.0+%, TCI America™
CAS: 78110-38-0 Molecular Formula: C13H17N5O8S2 Molecular Weight (g/mol): 435.426 MDL Number: MFCD00072145 InChI Key: WZPBZJONDBGPKJ-PSGLRMFWSA-N Synonym: trans-2-1-2-aminothiazol-4-yl-2-2-methyl-4-oxo-1-sulphoazetidin-3-yl amino-2-oxoethylidene amino oxy-2-methylpropionic acid,2-1-2-amino-4-thiazolyl-2-2r-2alpha-methyl-4-oxo-1-sulfo-3beta-azetidinyl amino-2-oxoethylidene amino oxy-2-methylpropanoic acid PubChem CID: 56842327 IUPAC Name: 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2R,3R)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid SMILES: CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N
| PubChem CID | 56842327 |
|---|---|
| CAS | 78110-38-0 |
| Molecular Weight (g/mol) | 435.426 |
| MDL Number | MFCD00072145 |
| SMILES | CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N |
| Synonym | trans-2-1-2-aminothiazol-4-yl-2-2-methyl-4-oxo-1-sulphoazetidin-3-yl amino-2-oxoethylidene amino oxy-2-methylpropionic acid,2-1-2-amino-4-thiazolyl-2-2r-2alpha-methyl-4-oxo-1-sulfo-3beta-azetidinyl amino-2-oxoethylidene amino oxy-2-methylpropanoic acid |
| IUPAC Name | 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2R,3R)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid |
| InChI Key | WZPBZJONDBGPKJ-PSGLRMFWSA-N |
| Molecular Formula | C13H17N5O8S2 |
Melatonin 98.0+%, TCI America™
CAS: 73-31-4 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.283 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) | 232.283 |
| 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 |
1-Imidazoleacetic Acid 98.0+%, TCI America™
CAS: 22884-10-2 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD01721800 InChI Key: QAFBDRSXXHEXGB-UHFFFAOYSA-N Synonym: imidazol-1-yl-acetic acid,2-1h-imidazol-1-yl acetic acid,1h-imidazole-1-acetic acid,1h-imidazol-1-ylacetic acid,imidazole-1-acetic acid,1-imidazolyl acetic acid,1-imidazoleacetic acid,imidazol-1-ylacetic acid,imidazol-1-yl acetic acid,1-imidazolylacetic acid PubChem CID: 656129 ChEBI: CHEBI:70801 IUPAC Name: 2-imidazol-1-ylacetic acid SMILES: C1=CN(C=N1)CC(=O)O
| PubChem CID | 656129 |
|---|---|
| CAS | 22884-10-2 |
| Molecular Weight (g/mol) | 126.115 |
| ChEBI | CHEBI:70801 |
| MDL Number | MFCD01721800 |
| SMILES | C1=CN(C=N1)CC(=O)O |
| Synonym | imidazol-1-yl-acetic acid,2-1h-imidazol-1-yl acetic acid,1h-imidazole-1-acetic acid,1h-imidazol-1-ylacetic acid,imidazole-1-acetic acid,1-imidazolyl acetic acid,1-imidazoleacetic acid,imidazol-1-ylacetic acid,imidazol-1-yl acetic acid,1-imidazolylacetic acid |
| IUPAC Name | 2-imidazol-1-ylacetic acid |
| InChI Key | QAFBDRSXXHEXGB-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
7-Aminocephalosporanic Acid 97.0+%, TCI America™
CAS: 957-68-6 Molecular Formula: C10H12N2O5S Molecular Weight (g/mol): 272.275 MDL Number: MFCD00005177 InChI Key: HSHGZXNAXBPPDL-HZGVNTEJSA-N Synonym: 7-aminocephalosporanic acid,7-aca,7-aminocephalosporinic acid,7beta-aminocephalosporanic acid,7-acs,unii-9xi67897rg,7r-7-aminocephalosporanic acid,7r-7-aminocephalosporanate,cephalosporanic acid, 7-amino,6r,7r-3-acetoxymethyl-7-amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid PubChem CID: 441328 ChEBI: CHEBI:2255 IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O
| PubChem CID | 441328 |
|---|---|
| CAS | 957-68-6 |
| Molecular Weight (g/mol) | 272.275 |
| ChEBI | CHEBI:2255 |
| MDL Number | MFCD00005177 |
| SMILES | CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O |
| Synonym | 7-aminocephalosporanic acid,7-aca,7-aminocephalosporinic acid,7beta-aminocephalosporanic acid,7-acs,unii-9xi67897rg,7r-7-aminocephalosporanic acid,7r-7-aminocephalosporanate,cephalosporanic acid, 7-amino,6r,7r-3-acetoxymethyl-7-amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid |
| IUPAC Name | (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChI Key | HSHGZXNAXBPPDL-HZGVNTEJSA-N |
| Molecular Formula | C10H12N2O5S |
Sumatriptan Succinate 98.0+%, TCI America™
CAS: 103628-48-4 Molecular Formula: C18H27N3O6S Molecular Weight (g/mol): 413.489 MDL Number: MFCD00902856 InChI Key: PORMUFZNYQJOEI-UHFFFAOYSA-N Synonym: 3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl-N-methylmethanesulfonamide Succinate PubChem CID: 59772 ChEBI: CHEBI:64359 IUPAC Name: butanedioic acid;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O
| PubChem CID | 59772 |
|---|---|
| CAS | 103628-48-4 |
| Molecular Weight (g/mol) | 413.489 |
| ChEBI | CHEBI:64359 |
| MDL Number | MFCD00902856 |
| SMILES | CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O |
| Synonym | 3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl-N-methylmethanesulfonamide Succinate |
| IUPAC Name | butanedioic acid;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide |
| InChI Key | PORMUFZNYQJOEI-UHFFFAOYSA-N |
| Molecular Formula | C18H27N3O6S |
Azobenzene-3,3'-dicarboxylic Acid 95.0+%, TCI America™
CAS: 621-18-1 Molecular Formula: C14H10N2O4 Molecular Weight (g/mol): 270.244 MDL Number: MFCD03844759 InChI Key: QBVIXYABUQQSRY-UHFFFAOYSA-N PubChem CID: 578067 IUPAC Name: 3-[(3-carboxyphenyl)diazenyl]benzoic acid SMILES: C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)C(=O)O
| PubChem CID | 578067 |
|---|---|
| CAS | 621-18-1 |
| Molecular Weight (g/mol) | 270.244 |
| MDL Number | MFCD03844759 |
| SMILES | C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)C(=O)O |
| IUPAC Name | 3-[(3-carboxyphenyl)diazenyl]benzoic acid |
| InChI Key | QBVIXYABUQQSRY-UHFFFAOYSA-N |
| Molecular Formula | C14H10N2O4 |
Azobenzene-4,4'-dicarboxylic Acid 95.0+%, TCI America™
CAS: 586-91-4 Molecular Formula: C14H10N2O4 Molecular Weight (g/mol): 270.244 MDL Number: MFCD00496621 InChI Key: NWHZQELJCLSKNV-UHFFFAOYSA-N Synonym: 4,4′C-Azodibenzoic Acid PubChem CID: 11471 IUPAC Name: 4-[(4-carboxyphenyl)diazenyl]benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)N=NC2=CC=C(C=C2)C(=O)O
| PubChem CID | 11471 |
|---|---|
| CAS | 586-91-4 |
| Molecular Weight (g/mol) | 270.244 |
| MDL Number | MFCD00496621 |
| SMILES | C1=CC(=CC=C1C(=O)O)N=NC2=CC=C(C=C2)C(=O)O |
| Synonym | 4,4′C-Azodibenzoic Acid |
| IUPAC Name | 4-[(4-carboxyphenyl)diazenyl]benzoic acid |
| InChI Key | NWHZQELJCLSKNV-UHFFFAOYSA-N |
| Molecular Formula | C14H10N2O4 |
1H-Pyrrolo[2,3-b]pyridine 98.0+%, TCI America™
CAS: 271-63-6 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005606,MFCD00075874 InChI Key: MVXVYAKCVDQRLW-UHFFFAOYSA-N Synonym: 7-azaindole,1h-pyrrolo 2,3-b pyridine,1,7-diazaindene,7h-pyrrolo 2,3-b pyridine,7-aza-1-pyrindine,1,7-dideazapurine,1 h-pyrrolo 2,3:b pyridine,7-aza indole,unii-qx4465nr9t PubChem CID: 9222 IUPAC Name: 1H-pyrrolo[2,3-b]pyridine SMILES: N1C=CC2=CC=CN=C12
| PubChem CID | 9222 |
|---|---|
| CAS | 271-63-6 |
| Molecular Weight (g/mol) | 118.14 |
| MDL Number | MFCD00005606,MFCD00075874 |
| SMILES | N1C=CC2=CC=CN=C12 |
| Synonym | 7-azaindole,1h-pyrrolo 2,3-b pyridine,1,7-diazaindene,7h-pyrrolo 2,3-b pyridine,7-aza-1-pyrindine,1,7-dideazapurine,1 h-pyrrolo 2,3:b pyridine,7-aza indole,unii-qx4465nr9t |
| IUPAC Name | 1H-pyrrolo[2,3-b]pyridine |
| InChI Key | MVXVYAKCVDQRLW-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
Gallein 85.0+%, TCI America™
CAS: 2103-64-2 Molecular Formula: C20H12O7 Molecular Weight (g/mol): 364.309 MDL Number: MFCD00041839 InChI Key: PHLYOKFVXIVOJC-UHFFFAOYSA-N Synonym: gallein,alizarin violet,pyrogallolphthalein,c.i. mordant violet 25,4,5-dihydroxyfluorescein,mordant violet 25,3',4',5',6'-tetrahydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,alizarine violet,unii-8l0084u2qr,fluorescein, 4',5'-dihydroxy PubChem CID: 73685 IUPAC Name: 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O
| PubChem CID | 73685 |
|---|---|
| CAS | 2103-64-2 |
| Molecular Weight (g/mol) | 364.309 |
| MDL Number | MFCD00041839 |
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O |
| Synonym | gallein,alizarin violet,pyrogallolphthalein,c.i. mordant violet 25,4,5-dihydroxyfluorescein,mordant violet 25,3',4',5',6'-tetrahydroxy-3h-spiro isobenzofuran-1,9'-xanthen-3-one,alizarine violet,unii-8l0084u2qr,fluorescein, 4',5'-dihydroxy |
| IUPAC Name | 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one |
| InChI Key | PHLYOKFVXIVOJC-UHFFFAOYSA-N |
| Molecular Formula | C20H12O7 |