Organoheterocyclic compounds
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2,5-Dihydroxy-1,4-dithiane, 96%
CAS: 40018-26-6 Molecular Formula: C4H8O2S2 Molecular Weight (g/mol): 152.226 MDL Number: MFCD00006659 InChI Key: YUIOPHXTILULQC-UHFFFAOYSA-N Synonym: p-dithiane-2,5-diol,2,5-dihydroxy-1,4-dithiane,mercaptoacetaldehyde dimer,4-dithiane-2,5-diol,1,4 dithiane-2,5-diol,2,5-dihydroxy-1,4-dithian,p-dthane-2,5-dol,pubchem20480,1,4dithiane-2,5diol,acmc-1anme PubChem CID: 98330 IUPAC Name: 1,4-dithiane-2,5-diol SMILES: C1C(SCC(S1)O)O
| PubChem CID | 98330 |
|---|---|
| CAS | 40018-26-6 |
| Molecular Weight (g/mol) | 152.226 |
| MDL Number | MFCD00006659 |
| SMILES | C1C(SCC(S1)O)O |
| Synonym | p-dithiane-2,5-diol,2,5-dihydroxy-1,4-dithiane,mercaptoacetaldehyde dimer,4-dithiane-2,5-diol,1,4 dithiane-2,5-diol,2,5-dihydroxy-1,4-dithian,p-dthane-2,5-dol,pubchem20480,1,4dithiane-2,5diol,acmc-1anme |
| IUPAC Name | 1,4-dithiane-2,5-diol |
| InChI Key | YUIOPHXTILULQC-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S2 |
5-Hydroxyisophthalic acid, 98%
CAS: 618-83-7 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.131 MDL Number: MFCD00002515 InChI Key: QNVNLUSHGRBCLO-UHFFFAOYSA-N Synonym: 5-hydroxyisophthalic acid,5-oxyisophthalic acid,isophthalic acid, 5-hydroxy,1,3-benzenedicarboxylic acid, 5-hydroxy,5-hydoxyisophthalic acid,5-hydroxy-isophthalic acid,5-hydroxy-1,3-benzenedicarboxylic acid,5-hydroxyisosphthalic acid,isophthalic acid, 5-hydroxy-6ci,7ci,8ci,5-hydroxyisophthalicacid PubChem CID: 69257 IUPAC Name: 5-hydroxybenzene-1,3-dicarboxylic acid SMILES: C1=C(C=C(C=C1C(=O)O)O)C(=O)O
| PubChem CID | 69257 |
|---|---|
| CAS | 618-83-7 |
| Molecular Weight (g/mol) | 182.131 |
| MDL Number | MFCD00002515 |
| SMILES | C1=C(C=C(C=C1C(=O)O)O)C(=O)O |
| Synonym | 5-hydroxyisophthalic acid,5-oxyisophthalic acid,isophthalic acid, 5-hydroxy,1,3-benzenedicarboxylic acid, 5-hydroxy,5-hydoxyisophthalic acid,5-hydroxy-isophthalic acid,5-hydroxy-1,3-benzenedicarboxylic acid,5-hydroxyisosphthalic acid,isophthalic acid, 5-hydroxy-6ci,7ci,8ci,5-hydroxyisophthalicacid |
| IUPAC Name | 5-hydroxybenzene-1,3-dicarboxylic acid |
| InChI Key | QNVNLUSHGRBCLO-UHFFFAOYSA-N |
| Molecular Formula | C8H6O5 |
6-Aminonicotinamide, 98%
CAS: 329-89-5 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006327 InChI Key: ZLWYEPMDOUQDBW-UHFFFAOYSA-N Synonym: 6-aminonicotinamide,2-amino-5-carbamoylpyridine,3-pyridinecarboxamide, 6-amino,6-amino-3-pyridinecarboxamide,6-aminonicotinic acid amide,6-aminonikotinsaeureamid,nicotinamide, 6-amino,aminonicotinamide,6-an,6-amino-nicotinsaeureamid PubChem CID: 9500 ChEBI: CHEBI:74514 IUPAC Name: 6-aminopyridine-3-carboxamide SMILES: NC(=O)C1=CC=C(N)N=C1
| PubChem CID | 9500 |
|---|---|
| CAS | 329-89-5 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:74514 |
| MDL Number | MFCD00006327 |
| SMILES | NC(=O)C1=CC=C(N)N=C1 |
| Synonym | 6-aminonicotinamide,2-amino-5-carbamoylpyridine,3-pyridinecarboxamide, 6-amino,6-amino-3-pyridinecarboxamide,6-aminonicotinic acid amide,6-aminonikotinsaeureamid,nicotinamide, 6-amino,aminonicotinamide,6-an,6-amino-nicotinsaeureamid |
| IUPAC Name | 6-aminopyridine-3-carboxamide |
| InChI Key | ZLWYEPMDOUQDBW-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
5-Chlorobenzoxazole, 95%
CAS: 17200-29-2 Molecular Formula: C7H4ClNO Molecular Weight (g/mol): 153.57 MDL Number: MFCD00216939 InChI Key: VWMQXAYLHOSRKA-UHFFFAOYSA-N Synonym: 5-chlorobenzoxazole,benzoxazole, 5-chloro,5-chlorobenzo d oxazole,pubchem8712,acmc-209zyg,maybridge1_004177,ksc182q4t PubChem CID: 28398 IUPAC Name: 5-chloro-1,3-benzoxazole SMILES: ClC1=CC=C2OC=NC2=C1
| PubChem CID | 28398 |
|---|---|
| CAS | 17200-29-2 |
| Molecular Weight (g/mol) | 153.57 |
| MDL Number | MFCD00216939 |
| SMILES | ClC1=CC=C2OC=NC2=C1 |
| Synonym | 5-chlorobenzoxazole,benzoxazole, 5-chloro,5-chlorobenzo d oxazole,pubchem8712,acmc-209zyg,maybridge1_004177,ksc182q4t |
| IUPAC Name | 5-chloro-1,3-benzoxazole |
| InChI Key | VWMQXAYLHOSRKA-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO |
Orcinol, 99.6%, MP Biomedicals™
CAS: 63939-65-1 Molecular Formula: C11H19IN2O Molecular Weight (g/mol): 322.19 InChI Key: VVLMSCJCXMBGDI-UHFFFAOYSA-M Synonym: oxotremorine m,oxotremorine-m,3h oxotremorine-m,n,n,n-trimethyl-4-2-oxopyrrolidin-1-yl but-2-yn-1-aminium,trimethyl-4-2-oxopyrrolidin-1-yl but-2-ynyl azanium,n,n,n-trimethyl-4-2-oxo-1-pyrrolidinyl-2-butyn-1-aminium,2-butyn-1-aminium, n,n,n-trimethyl-4-2-oxo-1-pyrrolidinyl,chembl23957,spectrum_001982,tocris-1067 PubChem CID: 3027782 IUPAC Name: trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium;iodide SMILES: C[N+](C)(C)CC#CCN1CCCC1=O.[I-]
| PubChem CID | 3027782 |
|---|---|
| CAS | 63939-65-1 |
| Molecular Weight (g/mol) | 322.19 |
| SMILES | C[N+](C)(C)CC#CCN1CCCC1=O.[I-] |
| Synonym | oxotremorine m,oxotremorine-m,3h oxotremorine-m,n,n,n-trimethyl-4-2-oxopyrrolidin-1-yl but-2-yn-1-aminium,trimethyl-4-2-oxopyrrolidin-1-yl but-2-ynyl azanium,n,n,n-trimethyl-4-2-oxo-1-pyrrolidinyl-2-butyn-1-aminium,2-butyn-1-aminium, n,n,n-trimethyl-4-2-oxo-1-pyrrolidinyl,chembl23957,spectrum_001982,tocris-1067 |
| IUPAC Name | trimethyl-[4-(2-oxopyrrolidin-1-yl)but-2-ynyl]azanium;iodide |
| InChI Key | VVLMSCJCXMBGDI-UHFFFAOYSA-M |
| Molecular Formula | C11H19IN2O |
6-Aminonicotinamide, MP Biomedicals™
CAS: 329-89-5 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006327 InChI Key: ZLWYEPMDOUQDBW-UHFFFAOYSA-N Synonym: 6-aminonicotinamide,2-amino-5-carbamoylpyridine,3-pyridinecarboxamide, 6-amino,6-amino-3-pyridinecarboxamide,6-aminonicotinic acid amide,6-aminonikotinsaeureamid,nicotinamide, 6-amino,aminonicotinamide,6-an,6-amino-nicotinsaeureamid PubChem CID: 9500 ChEBI: CHEBI:74514 IUPAC Name: 6-aminopyridine-3-carboxamide SMILES: NC(=O)C1=CC=C(N)N=C1
| PubChem CID | 9500 |
|---|---|
| CAS | 329-89-5 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:74514 |
| MDL Number | MFCD00006327 |
| SMILES | NC(=O)C1=CC=C(N)N=C1 |
| Synonym | 6-aminonicotinamide,2-amino-5-carbamoylpyridine,3-pyridinecarboxamide, 6-amino,6-amino-3-pyridinecarboxamide,6-aminonicotinic acid amide,6-aminonikotinsaeureamid,nicotinamide, 6-amino,aminonicotinamide,6-an,6-amino-nicotinsaeureamid |
| IUPAC Name | 6-aminopyridine-3-carboxamide |
| InChI Key | ZLWYEPMDOUQDBW-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
5-Fluorouracil, >99%, MP Biomedicals™
CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,5-fluoropyrimidine-2,4 1h,3h-dione PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O
| PubChem CID | 3385 |
|---|---|
| CAS | 51-21-8 |
| Molecular Weight (g/mol) | 130.08 |
| ChEBI | CHEBI:46345 |
| MDL Number | MFCD00006018 |
| SMILES | FC1=CNC(=O)NC1=O |
| Synonym | 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,5-fluoropyrimidine-2,4 1h,3h-dione |
| IUPAC Name | 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | GHASVSINZRGABV-UHFFFAOYSA-N |
| Molecular Formula | C4H3FN2O2 |
Ethyl 5-nitro-2-furoate, 97%
CAS: 943-37-3 Molecular Formula: C7H7NO5 Molecular Weight (g/mol): 185.135 MDL Number: MFCD00092566 InChI Key: JMNXLAQKIHVFIC-UHFFFAOYSA-N PubChem CID: 70341 IUPAC Name: ethyl 5-nitrofuran-2-carboxylate SMILES: CCOC(=O)C1=CC=C(O1)[N+](=O)[O-]
| PubChem CID | 70341 |
|---|---|
| CAS | 943-37-3 |
| Molecular Weight (g/mol) | 185.135 |
| MDL Number | MFCD00092566 |
| SMILES | CCOC(=O)C1=CC=C(O1)[N+](=O)[O-] |
| IUPAC Name | ethyl 5-nitrofuran-2-carboxylate |
| InChI Key | JMNXLAQKIHVFIC-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO5 |
3-O-methyl-D-glucose, 99.1%, MP Biomedicals™
CAS: 13224-94-7 Molecular Formula: C7H14O6 Molecular Weight (g/mol): 194.18 MDL Number: MFCD00063266 InChI Key: SCBBSJMAPKXHAH-OVHBTUCOSA-N Synonym: 3-o-methyl-alpha-d-glucopyranose,3-o-methyl-a-d-glucopyranose,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxytetrahydro-2h-pyran-2,3,5-triol,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxyoxane-2,3,5-triol,3-o-methyl-,a-d-glucopyranose,3-o-methyl-alpha-d-glucose,a-d-glucopyranose,3-o-methyl,alpha-d-glucopyranose, 3-o-methyl,3-o-methyl-d-glucopyranose PubChem CID: 83246 IUPAC Name: (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
| PubChem CID | 83246 |
|---|---|
| CAS | 13224-94-7 |
| Molecular Weight (g/mol) | 194.18 |
| MDL Number | MFCD00063266 |
| SMILES | CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O |
| Synonym | 3-o-methyl-alpha-d-glucopyranose,3-o-methyl-a-d-glucopyranose,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxytetrahydro-2h-pyran-2,3,5-triol,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxyoxane-2,3,5-triol,3-o-methyl-,a-d-glucopyranose,3-o-methyl-alpha-d-glucose,a-d-glucopyranose,3-o-methyl,alpha-d-glucopyranose, 3-o-methyl,3-o-methyl-d-glucopyranose |
| IUPAC Name | (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol |
| InChI Key | SCBBSJMAPKXHAH-OVHBTUCOSA-N |
| Molecular Formula | C7H14O6 |
3-Amino-2-methoxypyridine-4-carboxylic acid, 95%, Thermo Scientific Chemicals
CAS: 870997-81-2 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD18262266 InChI Key: ABVDQGNEDSKBLA-UHFFFAOYSA-N Synonym: 3-amino-2-methoxyisonicotinic acid,3-amino-2-methoxy-4-pyridinecarboxylic acid,3-amino-2-methoxyisonicotinicacid,3-amino-2-methoxy-isonicotinic acid PubChem CID: 53634618 IUPAC Name: 3-amino-2-methoxypyridine-4-carboxylic acid SMILES: COC1=NC=CC(C(O)=O)=C1N
| PubChem CID | 53634618 |
|---|---|
| CAS | 870997-81-2 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD18262266 |
| SMILES | COC1=NC=CC(C(O)=O)=C1N |
| Synonym | 3-amino-2-methoxyisonicotinic acid,3-amino-2-methoxy-4-pyridinecarboxylic acid,3-amino-2-methoxyisonicotinicacid,3-amino-2-methoxy-isonicotinic acid |
| IUPAC Name | 3-amino-2-methoxypyridine-4-carboxylic acid |
| InChI Key | ABVDQGNEDSKBLA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3 |
1,10-Phenanthroline iron(II) perchlorate, Thermo Scientific Chemicals
CAS: 14586-54-0 Molecular Formula: C36H24Cl2FeN6O8 Molecular Weight (g/mol): 795.367 MDL Number: MFCD00050959 InChI Key: QIZDTKUCQUZJHS-UHFFFAOYSA-L Synonym: 1,10-phenanthroline ferrous perchlorate,iron 2+ ; 1,10-phenanthroline; diperchlorate,iron 2+ perchlorate 1,10-phenanthroline 1:2:3,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, diperchlorate,tris 1,10-phenanthroline-n1,n10 iron diperchlorate,3c12h8n2.2clo4.fe,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, diperchlorate,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, perchlorate 1:2,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, perchlorate 1:2 PubChem CID: 84537 IUPAC Name: iron(2+);1,10-phenanthroline;diperchlorate SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]
| PubChem CID | 84537 |
|---|---|
| CAS | 14586-54-0 |
| Molecular Weight (g/mol) | 795.367 |
| MDL Number | MFCD00050959 |
| SMILES | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2] |
| Synonym | 1,10-phenanthroline ferrous perchlorate,iron 2+ ; 1,10-phenanthroline; diperchlorate,iron 2+ perchlorate 1,10-phenanthroline 1:2:3,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, diperchlorate,tris 1,10-phenanthroline-n1,n10 iron diperchlorate,3c12h8n2.2clo4.fe,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, diperchlorate,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, perchlorate 1:2,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, perchlorate 1:2 |
| IUPAC Name | iron(2+);1,10-phenanthroline;diperchlorate |
| InChI Key | QIZDTKUCQUZJHS-UHFFFAOYSA-L |
| Molecular Formula | C36H24Cl2FeN6O8 |
4-Phenyl-1,2,3-thiadiazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 78875-63-5 Molecular Formula: C9H6N2O2S Molecular Weight (g/mol): 206.219 MDL Number: MFCD00052216 InChI Key: DQZLGXDVESJWKA-UHFFFAOYSA-N Synonym: 4-phenyl-1,2,3-thiadiazole-5-carboxylic acid,1,2,3-thiadiazole-5-carboxylic acid, 4-phenyl,4-phenyl-5-thiadiazolecarboxylic acid,5-carboxy-4-phenyl-1,2,3-thiadiazole,4-phenyl-1,2,3-thiadiazol-5-carboxylic acid,4-phenyl 1,2,3 thiadiazole-5-carboxylic acid,1,2,3-thiadiazole-5-carboxylicacid, 4-phenyl,4-phenyl-1,2,3 thiadiazole-5-carboxylic acid PubChem CID: 2737167 IUPAC Name: 4-phenylthiadiazole-5-carboxylic acid SMILES: C1=CC=C(C=C1)C2=C(SN=N2)C(=O)O
| PubChem CID | 2737167 |
|---|---|
| CAS | 78875-63-5 |
| Molecular Weight (g/mol) | 206.219 |
| MDL Number | MFCD00052216 |
| SMILES | C1=CC=C(C=C1)C2=C(SN=N2)C(=O)O |
| Synonym | 4-phenyl-1,2,3-thiadiazole-5-carboxylic acid,1,2,3-thiadiazole-5-carboxylic acid, 4-phenyl,4-phenyl-5-thiadiazolecarboxylic acid,5-carboxy-4-phenyl-1,2,3-thiadiazole,4-phenyl-1,2,3-thiadiazol-5-carboxylic acid,4-phenyl 1,2,3 thiadiazole-5-carboxylic acid,1,2,3-thiadiazole-5-carboxylicacid, 4-phenyl,4-phenyl-1,2,3 thiadiazole-5-carboxylic acid |
| IUPAC Name | 4-phenylthiadiazole-5-carboxylic acid |
| InChI Key | DQZLGXDVESJWKA-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2S |
Methyl 3-aminobenzo[b]thiophene-2-carboxylate, 97%
CAS: 35212-85-2 Molecular Formula: C10H9NO2S Molecular Weight (g/mol): 207.247 MDL Number: MFCD00206744 InChI Key: VLHHEYMZLXKSQO-UHFFFAOYSA-N Synonym: methyl 3-aminobenzo b thiophene-2-carboxylate,benzo b thiophene-2-carboxylic acid, 3-amino-, methyl ester,cbmicro_030710,2-carbomethoxy-3-aminobenzothiophene,methyl 3-aminobenzothiophene-2-carboxylate,methyl-3-aminobenzothiophene-2-carboxylate,3-amino-2-methoxycarbonyl-1-benzothiophene,methyl 3-amino-benzo b thiophene-2-carboxylate,methyl 3-azanyl-1-benzothiophene-2-carboxylate,amino-benzo b thiophene-2-carboxylic acid methyl ester PubChem CID: 874720 IUPAC Name: methyl 3-amino-1-benzothiophene-2-carboxylate SMILES: COC(=O)C1=C(C2=CC=CC=C2S1)N
| PubChem CID | 874720 |
|---|---|
| CAS | 35212-85-2 |
| Molecular Weight (g/mol) | 207.247 |
| MDL Number | MFCD00206744 |
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)N |
| Synonym | methyl 3-aminobenzo b thiophene-2-carboxylate,benzo b thiophene-2-carboxylic acid, 3-amino-, methyl ester,cbmicro_030710,2-carbomethoxy-3-aminobenzothiophene,methyl 3-aminobenzothiophene-2-carboxylate,methyl-3-aminobenzothiophene-2-carboxylate,3-amino-2-methoxycarbonyl-1-benzothiophene,methyl 3-amino-benzo b thiophene-2-carboxylate,methyl 3-azanyl-1-benzothiophene-2-carboxylate,amino-benzo b thiophene-2-carboxylic acid methyl ester |
| IUPAC Name | methyl 3-amino-1-benzothiophene-2-carboxylate |
| InChI Key | VLHHEYMZLXKSQO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2S |
Ethyl 3-(chlorosulfonyl)isonicotinate, 95%, Thermo Scientific™
CAS: 306936-12-9 Molecular Formula: C8H8ClNO4S Molecular Weight (g/mol): 249.665 InChI Key: USJWOJZNWZSBGK-UHFFFAOYSA-N Synonym: ethyl 3-chlorosulfonyl isonicotinate,ethyl 3-chlorosulfonyl pyridine-4-carboxylate,ethyl-3-chlorosulphonylpyridine-4-carboxylate,ethyl 3-chlorosulphonyl pyridine-4-carboxylate,4-pyridinecarboxylic acid, 3-chlorosulfonyl-, ethyl ester,4-pyridinecarboxylic acid, 3-chlorosulfonyl-, ethyl ester 9ci PubChem CID: 2736400 IUPAC Name: ethyl 3-chlorosulfonylpyridine-4-carboxylate SMILES: CCOC(=O)C1=C(C=NC=C1)S(=O)(=O)Cl
| PubChem CID | 2736400 |
|---|---|
| CAS | 306936-12-9 |
| Molecular Weight (g/mol) | 249.665 |
| SMILES | CCOC(=O)C1=C(C=NC=C1)S(=O)(=O)Cl |
| Synonym | ethyl 3-chlorosulfonyl isonicotinate,ethyl 3-chlorosulfonyl pyridine-4-carboxylate,ethyl-3-chlorosulphonylpyridine-4-carboxylate,ethyl 3-chlorosulphonyl pyridine-4-carboxylate,4-pyridinecarboxylic acid, 3-chlorosulfonyl-, ethyl ester,4-pyridinecarboxylic acid, 3-chlorosulfonyl-, ethyl ester 9ci |
| IUPAC Name | ethyl 3-chlorosulfonylpyridine-4-carboxylate |
| InChI Key | USJWOJZNWZSBGK-UHFFFAOYSA-N |
| Molecular Formula | C8H8ClNO4S |
Biliverdin hydrochloride, Thermo Scientific Chemicals
CAS: 55482-27-4 Molecular Formula: C33H36Cl2N4O6 Molecular Weight (g/mol): 655.573 MDL Number: MFCD08669554 InChI Key: GNLHFBAZSKVVCQ-VTURHDOZSA-N Synonym: biliverdin hydrochloride PubChem CID: 132991794 IUPAC Name: 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid;dihydrochloride SMILES: CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O.Cl.Cl
| PubChem CID | 132991794 |
|---|---|
| CAS | 55482-27-4 |
| Molecular Weight (g/mol) | 655.573 |
| MDL Number | MFCD08669554 |
| SMILES | CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O.Cl.Cl |
| Synonym | biliverdin hydrochloride |
| IUPAC Name | 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid;dihydrochloride |
| InChI Key | GNLHFBAZSKVVCQ-VTURHDOZSA-N |
| Molecular Formula | C33H36Cl2N4O6 |