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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H39FN2O5
Molecular Weight 598.7037
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATORVASTATIN ACETONIDE

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H]3C[C@H](CC(O)=O)OC(C)(C)O3)C4=CC=C(F)C=C4)C5=CC=CC=C5

InChI

InChIKey=YFMKJVDVNPLQFO-FQLXRVMXSA-N
InChI=1S/C36H39FN2O5/c1-23(2)33-32(35(42)38-27-13-9-6-10-14-27)31(24-11-7-5-8-12-24)34(25-15-17-26(37)18-16-25)39(33)20-19-28-21-29(22-30(40)41)44-36(3,4)43-28/h5-18,23,28-29H,19-22H2,1-4H3,(H,38,42)(H,40,41)/t28-,29-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ATORVASTATIN ACETONIDE
Common Name English
2-((4R,6R)-6-(2-(2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL)ACETIC ACID
Systematic Name English
ATORVASTATIN CALCIUM IMPURITY P [EP IMPURITY]
Common Name English
Lipitor acetonide
Common Name English
1,3-DIOXANE-4-ACETIC ACID, 6-(2-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-, (4R,6R)-
Systematic Name English
[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70450295
Created by admin on Sat Dec 16 18:35:13 GMT 2023 , Edited by admin on Sat Dec 16 18:35:13 GMT 2023
PRIMARY
FDA UNII
4P52UK6TGT
Created by admin on Sat Dec 16 18:35:13 GMT 2023 , Edited by admin on Sat Dec 16 18:35:13 GMT 2023
PRIMARY
CAS
581772-29-4
Created by admin on Sat Dec 16 18:35:13 GMT 2023 , Edited by admin on Sat Dec 16 18:35:13 GMT 2023
PRIMARY
PUBCHEM
10974031
Created by admin on Sat Dec 16 18:35:13 GMT 2023 , Edited by admin on Sat Dec 16 18:35:13 GMT 2023
PRIMARY PUBCHEM