Organic acids and derivatives
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Spironolactone, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
(R)-Glycidyl 3-Nitrobenzenesulfonate 98.0+%, TCI America™
CAS: 115314-17-5 Molecular Formula: C9H9NO6S Molecular Weight (g/mol): 259.232 MDL Number: MFCD00013436 InChI Key: AIHIHVZYAAMDPM-MRVPVSSYSA-N Synonym: r---glycidyl nosylate,r-glycidyl nosylate,r-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,r-glycidyl 3-nitrobenzenesulfonate,r---glycidyl 3-nitrobenzenesulfonate,r---glycidyl-3-nitrobenzenesulfonate,ccris 6393,oxiranylmethyl r-3-nitrobenzenesulfonate,benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, r PubChem CID: 146513 IUPAC Name: [(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate SMILES: C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
| PubChem CID | 146513 |
|---|---|
| CAS | 115314-17-5 |
| Molecular Weight (g/mol) | 259.232 |
| MDL Number | MFCD00013436 |
| SMILES | C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
| Synonym | r---glycidyl nosylate,r-glycidyl nosylate,r-oxiran-2-ylmethyl 3-nitrobenzenesulfonate,r-glycidyl 3-nitrobenzenesulfonate,r---glycidyl 3-nitrobenzenesulfonate,r---glycidyl-3-nitrobenzenesulfonate,ccris 6393,oxiranylmethyl r-3-nitrobenzenesulfonate,benzenesulfonic acid, 3-nitro-, oxiranylmethyl ester, r |
| IUPAC Name | [(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate |
| InChI Key | AIHIHVZYAAMDPM-MRVPVSSYSA-N |
| Molecular Formula | C9H9NO6S |
Methyl 5-Methylpyrazole-3-carboxylate 98.0+%, TCI America™
CAS: 25016-17-5 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD03778987 InChI Key: GFEZEVUIYRGWNU-UHFFFAOYSA-N Synonym: methyl 3-methyl-1h-pyrazole-5-carboxylate,methyl 5-methylpyrazole-3-carboxylate,methyl 5-methyl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-methyl-, methyl ester,5-methyl-1h-pyrazole-3-carboxylic acid methyl ester,5-methyl-2h-pyrazole-3-carboxylic acid methyl ester,5-methyl-1 2 h-pyrazole-3-carboxylic acid methyl ester,methylmethylpyrazolecarboxylate,ksc554q1l,5-methoxycarbonyl-3-me-thylpyrazole PubChem CID: 2753079 IUPAC Name: methyl 5-methyl-1H-pyrazole-3-carboxylate SMILES: CC1=CC(=NN1)C(=O)OC
| PubChem CID | 2753079 |
|---|---|
| CAS | 25016-17-5 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD03778987 |
| SMILES | CC1=CC(=NN1)C(=O)OC |
| Synonym | methyl 3-methyl-1h-pyrazole-5-carboxylate,methyl 5-methylpyrazole-3-carboxylate,methyl 5-methyl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-methyl-, methyl ester,5-methyl-1h-pyrazole-3-carboxylic acid methyl ester,5-methyl-2h-pyrazole-3-carboxylic acid methyl ester,5-methyl-1 2 h-pyrazole-3-carboxylic acid methyl ester,methylmethylpyrazolecarboxylate,ksc554q1l,5-methoxycarbonyl-3-me-thylpyrazole |
| IUPAC Name | methyl 5-methyl-1H-pyrazole-3-carboxylate |
| InChI Key | GFEZEVUIYRGWNU-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Guaiacol Carbonate 98.0+%, TCI America™
CAS: 553-17-3 Molecular Formula: C15H14O5 Molecular Weight (g/mol): 274.272 MDL Number: MFCD00025723 InChI Key: ORUJFMPWKPVXLZ-UHFFFAOYSA-N Synonym: guaiacol carbonate,bis 2-methoxyphenyl carbonate,duotal,tussophob,guaiacyl carbonate,di-o-methoxyphenyl carbonate,bis-o-methoxyphenyl carbonate,carbonic acid bis 2-methoxyphenyl ester,guaiacol carbonic acid neutral ester,unii-q71xpq6r29 PubChem CID: 11104 IUPAC Name: bis(2-methoxyphenyl) carbonate SMILES: COC1=CC=CC=C1OC(=O)OC2=CC=CC=C2OC
| PubChem CID | 11104 |
|---|---|
| CAS | 553-17-3 |
| Molecular Weight (g/mol) | 274.272 |
| MDL Number | MFCD00025723 |
| SMILES | COC1=CC=CC=C1OC(=O)OC2=CC=CC=C2OC |
| Synonym | guaiacol carbonate,bis 2-methoxyphenyl carbonate,duotal,tussophob,guaiacyl carbonate,di-o-methoxyphenyl carbonate,bis-o-methoxyphenyl carbonate,carbonic acid bis 2-methoxyphenyl ester,guaiacol carbonic acid neutral ester,unii-q71xpq6r29 |
| IUPAC Name | bis(2-methoxyphenyl) carbonate |
| InChI Key | ORUJFMPWKPVXLZ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O5 |
Sodium 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonate 98.0+%, TCI America™
CAS: 221908-17-4 Molecular Formula: C6HF4NaO4S Molecular Weight (g/mol): 268.11 MDL Number: MFCD03427812 InChI Key: HVXPVJLSYQBYCR-UHFFFAOYSA-M Synonym: 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonic Acid Sodium Salt PubChem CID: 23686972 IUPAC Name: sodium 2,3,5,6-tetrafluoro-4-hydroxybenzene-1-sulfonate SMILES: [Na+].OC1=C(F)C(F)=C(C(F)=C1F)S([O-])(=O)=O
| PubChem CID | 23686972 |
|---|---|
| CAS | 221908-17-4 |
| Molecular Weight (g/mol) | 268.11 |
| MDL Number | MFCD03427812 |
| SMILES | [Na+].OC1=C(F)C(F)=C(C(F)=C1F)S([O-])(=O)=O |
| Synonym | 2,3,5,6-Tetrafluoro-4-hydroxybenzenesulfonic Acid Sodium Salt |
| IUPAC Name | sodium 2,3,5,6-tetrafluoro-4-hydroxybenzene-1-sulfonate |
| InChI Key | HVXPVJLSYQBYCR-UHFFFAOYSA-M |
| Molecular Formula | C6HF4NaO4S |
1-Acetylisatin 98.0+%, TCI America™
CAS: 574-17-4 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00158542 InChI Key: LPGDEHBASRKTDG-UHFFFAOYSA-N Synonym: 1-acetylisatin,n-acetylisatin,1-acetyl-1h-indole-2,3-dione,acetylisatin,1-acetylindoline-2,3-dione,1-acetyl-indole-2,3-dione,1h-indole-2,3-dione, 1-acetyl,indole-2,3-dione, 1-acetyl,1-acetyl-2,3-dihydro-1h-indole-2,3-dione,n-acetyl-isatin PubChem CID: 11321 ChEBI: CHEBI:16050 IUPAC Name: 1-acetyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CC(=O)N1C(=O)C(=O)C2=CC=CC=C12
| PubChem CID | 11321 |
|---|---|
| CAS | 574-17-4 |
| Molecular Weight (g/mol) | 189.17 |
| ChEBI | CHEBI:16050 |
| MDL Number | MFCD00158542 |
| SMILES | CC(=O)N1C(=O)C(=O)C2=CC=CC=C12 |
| Synonym | 1-acetylisatin,n-acetylisatin,1-acetyl-1h-indole-2,3-dione,acetylisatin,1-acetylindoline-2,3-dione,1-acetyl-indole-2,3-dione,1h-indole-2,3-dione, 1-acetyl,indole-2,3-dione, 1-acetyl,1-acetyl-2,3-dihydro-1h-indole-2,3-dione,n-acetyl-isatin |
| IUPAC Name | 1-acetyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | LPGDEHBASRKTDG-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO3 |
Ethyl 4,5,6,7-Tetrahydroisoindole-1-carboxylate 95.0+%, TCI America™
CAS: 65880-17-3 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD06227773 InChI Key: NIMDFIORBNYIGB-UHFFFAOYSA-N Synonym: 4,5,6,7-Tetrahydroisoindole-1-carboxylic Acid Ethyl Ester PubChem CID: 10035498 IUPAC Name: ethyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate SMILES: CCOC(=O)C1=C2CCCCC2=CN1
| PubChem CID | 10035498 |
|---|---|
| CAS | 65880-17-3 |
| Molecular Weight (g/mol) | 193.246 |
| MDL Number | MFCD06227773 |
| SMILES | CCOC(=O)C1=C2CCCCC2=CN1 |
| Synonym | 4,5,6,7-Tetrahydroisoindole-1-carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate |
| InChI Key | NIMDFIORBNYIGB-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2 |
5-Chloroisatoic Anhydride 98.0+%, TCI America™
CAS: 4743-17-3 Molecular Formula: C8H4ClNO3 Molecular Weight (g/mol): 197.574 MDL Number: MFCD00006701 InChI Key: MYQFJMYJVJRSGP-UHFFFAOYSA-N Synonym: 6-Chloro-1,2-dihydro -4H-3,1-benzoxazine-2,4-dione PubChem CID: 78480 IUPAC Name: 6-chloro-1H-3,1-benzoxazine-2,4-dione SMILES: C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2
| PubChem CID | 78480 |
|---|---|
| CAS | 4743-17-3 |
| Molecular Weight (g/mol) | 197.574 |
| MDL Number | MFCD00006701 |
| SMILES | C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2 |
| Synonym | 6-Chloro-1,2-dihydro -4H-3,1-benzoxazine-2,4-dione |
| IUPAC Name | 6-chloro-1H-3,1-benzoxazine-2,4-dione |
| InChI Key | MYQFJMYJVJRSGP-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClNO3 |
Methyl 5-methyl[1H]pyrazole-3-carboxylate, 96%
CAS: 25016-17-5 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD03778987 InChI Key: GFEZEVUIYRGWNU-UHFFFAOYSA-N Synonym: methyl 3-methyl-1h-pyrazole-5-carboxylate,methyl 5-methylpyrazole-3-carboxylate,methyl 5-methyl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-methyl-, methyl ester,5-methyl-1h-pyrazole-3-carboxylic acid methyl ester,5-methyl-2h-pyrazole-3-carboxylic acid methyl ester,5-methyl-1 2 h-pyrazole-3-carboxylic acid methyl ester,methylmethylpyrazolecarboxylate,ksc554q1l,5-methoxycarbonyl-3-me-thylpyrazole PubChem CID: 2753079 IUPAC Name: methyl 5-methyl-1H-pyrazole-3-carboxylate SMILES: CC1=CC(=NN1)C(=O)OC
| PubChem CID | 2753079 |
|---|---|
| CAS | 25016-17-5 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD03778987 |
| SMILES | CC1=CC(=NN1)C(=O)OC |
| Synonym | methyl 3-methyl-1h-pyrazole-5-carboxylate,methyl 5-methylpyrazole-3-carboxylate,methyl 5-methyl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-methyl-, methyl ester,5-methyl-1h-pyrazole-3-carboxylic acid methyl ester,5-methyl-2h-pyrazole-3-carboxylic acid methyl ester,5-methyl-1 2 h-pyrazole-3-carboxylic acid methyl ester,methylmethylpyrazolecarboxylate,ksc554q1l,5-methoxycarbonyl-3-me-thylpyrazole |
| IUPAC Name | methyl 5-methyl-1H-pyrazole-3-carboxylate |
| InChI Key | GFEZEVUIYRGWNU-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Beta-Sitosterol From Soybeans Practical MP Biomedicals
CAS: 83-46-5 Molecular Formula: C29H50O Molecular Weight (g/mol): 414.718 InChI Key: KZJWDPNRJALLNS-VJSFXXLFSA-N Synonym: beta-sitosterol,sitosterol,cupreol,quebrachol,22,23-dihydrostigmasterol,azuprostat,triastonal,cinchol,rhamnol,harzol PubChem CID: 222284 ChEBI: CHEBI:27693 IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
| PubChem CID | 222284 |
|---|---|
| CAS | 83-46-5 |
| Molecular Weight (g/mol) | 414.718 |
| ChEBI | CHEBI:27693 |
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C |
| Synonym | beta-sitosterol,sitosterol,cupreol,quebrachol,22,23-dihydrostigmasterol,azuprostat,triastonal,cinchol,rhamnol,harzol |
| IUPAC Name | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI Key | KZJWDPNRJALLNS-VJSFXXLFSA-N |
| Molecular Formula | C29H50O |
1-Octanesulfonic Acid Sodium Salt, Monohydrate, Reagent HPLC, 99%, Spectrum™ Chemical
CAS: 207596-29-0 Molecular Formula: C8H19NaO4S Molecular Weight (g/mol): 234.29 MDL Number: MFCD00149551 InChI Key: MBURIAHQXJQKRE-UHFFFAOYSA-M IUPAC Name: sodium hydrate octane-1-sulfonate SMILES: O.[Na+].CCCCCCCCS([O-])(=O)=O
| CAS | 207596-29-0 |
|---|---|
| Molecular Weight (g/mol) | 234.29 |
| MDL Number | MFCD00149551 |
| SMILES | O.[Na+].CCCCCCCCS([O-])(=O)=O |
| IUPAC Name | sodium hydrate octane-1-sulfonate |
| InChI Key | MBURIAHQXJQKRE-UHFFFAOYSA-M |
| Molecular Formula | C8H19NaO4S |
Sodium DL-lactate, 60% w/w aq. soln.
CAS: 72-17-3 Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 MDL Number: MFCD00065400 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYSA-M Synonym: sodium lactate,lactic acid sodium salt,monosodium lactate,sodium dl-lactate,lacolin,per-glycerin,lactic acid, monosodium salt,sodium alpha-hydroxypropionate,monosodium 2-hydroxypropanoate,propanoic acid, 2-hydroxy-, monosodium salt PubChem CID: 23666456 ChEBI: CHEBI:75228 IUPAC Name: sodium;2-hydroxypropanoate SMILES: CC(C(=O)[O-])O.[Na+]
| PubChem CID | 23666456 |
|---|---|
| CAS | 72-17-3 |
| Molecular Weight (g/mol) | 112.06 |
| ChEBI | CHEBI:75228 |
| MDL Number | MFCD00065400 |
| SMILES | CC(C(=O)[O-])O.[Na+] |
| Synonym | sodium lactate,lactic acid sodium salt,monosodium lactate,sodium dl-lactate,lacolin,per-glycerin,lactic acid, monosodium salt,sodium alpha-hydroxypropionate,monosodium 2-hydroxypropanoate,propanoic acid, 2-hydroxy-, monosodium salt |
| IUPAC Name | sodium;2-hydroxypropanoate |
| InChI Key | NGSFWBMYFKHRBD-UHFFFAOYSA-M |
| Molecular Formula | C3H5NaO3 |
2-Allenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 95.0+%, TCI America™
CAS: 865350-17-0 Molecular Formula: C9H15BO2 Molecular Weight (g/mol): 166.03 MDL Number: MFCD09265121 InChI Key: CJAOMXUZZONOSD-UHFFFAOYNA-N Synonym: Allenylboronic Acid Pinacol Ester PubChem CID: 11679867 IUPAC Name: 4,4,5,5-tetramethyl-2-(propa-1,2-dien-1-yl)-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C=C=C
| PubChem CID | 11679867 |
|---|---|
| CAS | 865350-17-0 |
| Molecular Weight (g/mol) | 166.03 |
| MDL Number | MFCD09265121 |
| SMILES | CC1(C)OB(OC1(C)C)C=C=C |
| Synonym | Allenylboronic Acid Pinacol Ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(propa-1,2-dien-1-yl)-1,3,2-dioxaborolane |
| InChI Key | CJAOMXUZZONOSD-UHFFFAOYNA-N |
| Molecular Formula | C9H15BO2 |
Methyl pyrrole-3-carboxylate, 97%
CAS: 2703-17-5 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD00967074 InChI Key: WLBNVSIQCFHAQB-UHFFFAOYSA-N Synonym: methyl pyrrole-3-carboxylate,1h-pyrrole-3-carboxylic acid methyl ester,1h-pyrrole-3-carboxylic acid, methyl ester,methyl 3-pyrrolecarboxylate,3-methoxycarbonyl-1h-pyrrole,pubchem22507,acmc-1cmqn,methylpyrrole-3-carboxylate,4,5-methoxy-carbonylpyrrole,methyl pyrrole 3-carboxylate PubChem CID: 12361759 IUPAC Name: methyl 1H-pyrrole-3-carboxylate SMILES: COC(=O)C1=CNC=C1
| PubChem CID | 12361759 |
|---|---|
| CAS | 2703-17-5 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD00967074 |
| SMILES | COC(=O)C1=CNC=C1 |
| Synonym | methyl pyrrole-3-carboxylate,1h-pyrrole-3-carboxylic acid methyl ester,1h-pyrrole-3-carboxylic acid, methyl ester,methyl 3-pyrrolecarboxylate,3-methoxycarbonyl-1h-pyrrole,pubchem22507,acmc-1cmqn,methylpyrrole-3-carboxylate,4,5-methoxy-carbonylpyrrole,methyl pyrrole 3-carboxylate |
| IUPAC Name | methyl 1H-pyrrole-3-carboxylate |
| InChI Key | WLBNVSIQCFHAQB-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
Malonamamidine hydrochloride, 98+%
CAS: 34570-17-7 Molecular Formula: C3H7ClN3O Molecular Weight (g/mol): 136.56 MDL Number: MFCD00013007 InChI Key: MDSJPVJGEXMXIC-UHFFFAOYSA-N Synonym: malonamamidine hydrochloride,3-amino-3-iminopropanamide hydrochloride,amidinomalonamide hydrochloride,2-carbamimidoylacetamide hydrochloride,propanamide, 3-amino-3-imino-, monohydrochloride,amidinomalonamide hcl,amindinomalonamide,malonamideamidine hydrochloride,tos-bb-1115 PubChem CID: 3084595 IUPAC Name: 3-amino-3-iminopropanamide;hydrochloride SMILES: [Cl].NC(=N)CC(N)=O
| PubChem CID | 3084595 |
|---|---|
| CAS | 34570-17-7 |
| Molecular Weight (g/mol) | 136.56 |
| MDL Number | MFCD00013007 |
| SMILES | [Cl].NC(=N)CC(N)=O |
| Synonym | malonamamidine hydrochloride,3-amino-3-iminopropanamide hydrochloride,amidinomalonamide hydrochloride,2-carbamimidoylacetamide hydrochloride,propanamide, 3-amino-3-imino-, monohydrochloride,amidinomalonamide hcl,amindinomalonamide,malonamideamidine hydrochloride,tos-bb-1115 |
| IUPAC Name | 3-amino-3-iminopropanamide;hydrochloride |
| InChI Key | MDSJPVJGEXMXIC-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClN3O |