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

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C25H39O6.Ca.3H2O
Molecular Weight 965.271
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TENIVASTATIN CALCIUM HYDRATE

SMILES

O.O.O.[Ca++].[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)C(C)(C)CC.[H][C@]34[C@H](C[C@@H](C)C=C3C=C[C@H](C)[C@@H]4CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)C(C)(C)CC

InChI

InChIKey=ZZURQDTUMWWURH-XVIDMKIDSA-L
InChI=1S/2C25H40O6.Ca.3H2O/c2*1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;;;;/h2*7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);;3*1H2/q;;+2;;;/p-2/t2*15-,16-,18+,19+,20-,21-,23-;;;;/m00..../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TENIVASTATIN CALCIUM HYDRATE
Common Name English
1-NAPHTHALENEHEPTANOIC ACID, 8-(2,2-DIMETHYL-1-OXOBUTOXY)-1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.-DIHYDROXY-2,6-DIMETHYL-, CALCIUM SALT, HYDRATE (2:1),(.BETA.R,.DELTA.R,1S,2S,6R,8S,8AR)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10201061
Created by admin on Fri Dec 15 15:41:23 UTC 2023 , Edited by admin on Fri Dec 15 15:41:23 UTC 2023
PRIMARY
PUBCHEM
71587759
Created by admin on Fri Dec 15 15:41:23 UTC 2023 , Edited by admin on Fri Dec 15 15:41:23 UTC 2023
PRIMARY
CAS
530112-57-3
Created by admin on Fri Dec 15 15:41:23 UTC 2023 , Edited by admin on Fri Dec 15 15:41:23 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
QSL5L73L0O
Created by admin on Fri Dec 15 15:41:23 UTC 2023 , Edited by admin on Fri Dec 15 15:41:23 UTC 2023
PRIMARY