for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
(3R,5S)-Atorvastatin Sodium Salt is an impurity of Atorvastatin .
| Canonical Smiles | CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Na+] |
|---|---|
| IUPAC Name | sodium;(3R,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate |
| InChIKey | VVRPOCPLIUDBSA-MFHXMFJOSA-M |
| INCHI | 1S/C33H35FN2O5.Na/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1/t26-,27+;/m0./s1 |
| Isomeric SMILES | CC(C)C1=C(C(=C(N1CC[C@@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Na+] |
| Molecular Weight | 580.62 |
| Reaxy-Rn | 20190395 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20190395&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Phenylpyrroles |
| Direct Parent | Diphenylpyrroles |
| Alternative Parents | Aromatic anilides Medium-chain hydroxy acids and derivatives Pyrrole carboxamides Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Hydroxy fatty acids Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organofluorides Organic sodium salts Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,3-diphenylpyrrole - Aromatic anilide - Medium-chain hydroxy acid - Medium-chain fatty acid - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxamide - Hydroxy fatty acid - Fluorobenzene - Halobenzene - Beta-hydroxy acid - Benzenoid - Aryl fluoride - Fatty acyl - Fatty acid - Hydroxy acid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Carboxylic acid salt - Secondary alcohol - Secondary carboxylic acid amide - Organic metal halide - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic salt - Organic sodium salt - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly two phenyl groups. |
| External Descriptors | Not available |
| Solubility | Methanol |
|---|---|
| Molecular Weight | 580.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 580.235 Da |
| Monoisotopic Mass | 580.235 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 829.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
