U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C33H34FN2O5.Sr
Molecular Weight 1202.88
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATORVASTATIN STRONTIUM

SMILES

[Sr++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C3=CC=C(F)C=C3)C4=CC=CC=C4.CC(C)C5=C(C(=O)NC6=CC=CC=C6)C(=C(N5CC[C@@H](O)C[C@@H](O)CC([O-])=O)C7=CC=C(F)C=C7)C8=CC=CC=C8

InChI

InChIKey=GPNFRRPXCRWXHN-MNSAWQCASA-L
InChI=1S/2C33H35FN2O5.Sr/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;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ATORVASTATIN STRONTIUM
WHO-DD  
Common Name English
H-PYRROLE-1-HEPTANOIC ACID, 2-(4-FLUOROPHENYL)-.BETA.,.DELTA.-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-, STRONTIUM SALT (2:1), (.BETA.R,.DELTA.R)-
Common Name English
Atorvastatin strontium [WHO-DD]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10147995
Created by admin on Sat Dec 16 02:08:23 UTC 2023 , Edited by admin on Sat Dec 16 02:08:23 UTC 2023
PRIMARY
SMS_ID
100000168574
Created by admin on Sat Dec 16 02:08:23 UTC 2023 , Edited by admin on Sat Dec 16 02:08:23 UTC 2023
PRIMARY
PUBCHEM
24875347
Created by admin on Sat Dec 16 02:08:23 UTC 2023 , Edited by admin on Sat Dec 16 02:08:23 UTC 2023
PRIMARY
EVMPD
SUB182181
Created by admin on Sat Dec 16 02:08:23 UTC 2023 , Edited by admin on Sat Dec 16 02:08:23 UTC 2023
PRIMARY
CAS
1072903-92-4
Created by admin on Sat Dec 16 02:08:23 UTC 2023 , Edited by admin on Sat Dec 16 02:08:23 UTC 2023
PRIMARY
FDA UNII
AMJ4WWI6NM
Created by admin on Sat Dec 16 02:08:23 UTC 2023 , Edited by admin on Sat Dec 16 02:08:23 UTC 2023
PRIMARY