CAS No.131275-93-9,Atorvastatin 10-Trans (Atorvastatin Impurity AT10) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	131275-93-9
Name:	Atorvastatin 10-Trans (Atorvastatin Impurity AT10)

Formula:	C₃₃H₃₄FN₂NaO₅
Molecular Weight:	580.62
Synonyms:	Sodium (3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate;7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoate;Sodium; 7-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoate;
Melting Point:	178-180°C
PSA:	114.62000
LogP:	5.05190

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Specification

The (3R,5S)-Atorvastatin sodium salt with CAS registry number of 131275-93-9 is also known as 7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoate. The systematic name is Sodium (3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate. It belongs to product categories of Impurities; Intermediates & Fine Chemicals; Pharmaceuticals. In addition, the formula is C₃₃H₃₄FN₂NaO₅ and the molecular weight is 580.62.

You can still convert the following datas into molecular structure:
1. SMILES: CC(C)c1c(c(c(n1CCC(C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+]
2. InChI: InChI=1/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-;/m1./s1
3. InChIKey: VVRPOCPLIUDBSA-TZRRJVIPBD
4. Std. InChI: 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-;/m1./s1
5. Std. InChIKey: VVRPOCPLIUDBSA-MRCSROGZSA-M