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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H48FN3O8
Molecular Weight 717.8228
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3R,5R)-7-(((3R,5R)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXYHEPTANOYL)AMINO)-3,5-DIHYDROXYHEPTANOIC ACID

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(=O)NCC[C@@H](O)C[C@@H](O)CC(O)=O)C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=UNBQUGGVWQTSGG-XEXPGFJZSA-N
InChI=1S/C40H48FN3O8/c1-25(2)38-37(40(52)43-29-11-7-4-8-12-29)36(26-9-5-3-6-10-26)39(27-13-15-28(41)16-14-27)44(38)20-18-31(46)22-32(47)23-34(49)42-19-17-30(45)21-33(48)24-35(50)51/h3-16,25,30-33,45-48H,17-24H2,1-2H3,(H,42,49)(H,43,52)(H,50,51)/t30-,31-,32-,33-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3R,5R)-7-(((3R,5R)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXYHEPTANOYL)AMINO)-3,5-DIHYDROXYHEPTANOIC ACID
Common Name English
HEPTANOIC ACID, 7-(((3R,5R)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXY-1-OXOHEPTYL)AMINO)-3,5-DIHYDROXY-, (3R,5R)-
Common Name English
ATORVASTATIN CALCIUM IMPURITY F [EP IMPURITY]
Common Name English
ATORVASTATIN DIAMINO [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
887196-24-9
Created by admin on Sat Dec 16 05:42:26 GMT 2023 , Edited by admin on Sat Dec 16 05:42:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID20237275
Created by admin on Sat Dec 16 05:42:26 GMT 2023 , Edited by admin on Sat Dec 16 05:42:26 GMT 2023
PRIMARY
FDA UNII
NM4ME645TL
Created by admin on Sat Dec 16 05:42:26 GMT 2023 , Edited by admin on Sat Dec 16 05:42:26 GMT 2023
PRIMARY
PUBCHEM
57831782
Created by admin on Sat Dec 16 05:42:26 GMT 2023 , Edited by admin on Sat Dec 16 05:42:26 GMT 2023
PRIMARY