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Substance Name: Atorvastatin calcium propylene glycol solvate
RN: 1040350-07-9
UNII: YRZ789OWMI
InChIKey: KNMXZASRMVGUNA-SVWYKLQNSA-L

Molecular Weight

  • 1231.4494
 
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Names and Synonyms

Name of Substance

  • Atorvastatin calcium propylene glycol solvate

Synonym

  • UNII-YRZ789OWMI

Registry Numbers

CAS Registry Number

  • 1040350-07-9

FDA UNII

  • YRZ789OWMI

System Generated Number

  • 1040350079

Structure Descriptors

InChI

1S/2C33H35FN2O5.C3H8O2.Ca/c2*1-21(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;1-3(5)2-4;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);3-5H,2H2,1H3;/q;;;+2/p-2/t2*26-,27-;;/m11../s1

InChIKey

KNMXZASRMVGUNA-SVWYKLQNSA-L

Smiles

CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.CC(CO)O.[Ca+2]