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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O4
Molecular Weight 400.5509
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANHYDRO SIMVASTATIN

SMILES

[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]3CC=CC(=O)O3)OC(=O)C(C)(C)CC

InChI

InChIKey=BIYWBTKPNWCYHM-RLSQPJRHSA-N
InChI=1S/C25H36O4/c1-6-25(4,5)24(27)29-21-15-16(2)14-18-11-10-17(3)20(23(18)21)13-12-19-8-7-9-22(26)28-19/h7,9-11,14,16-17,19-21,23H,6,8,12-13,15H2,1-5H3/t16-,17-,19-,20-,21-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ANHYDRO SIMVASTATIN
USP-RS  
Common Name English
SIMVASTATIN IMPURITY C [EP IMPURITY]
Common Name English
(1S,3R,7S,8S,8AR)-3,7-DIMETHYL-8-(2-((2R)-6-OXO-3,6-DIHYDRO-2H-PYRAN-2-YL)ETHYL)-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2,2-DIMETHYLBUTANOATE
Systematic Name English
ANHYDRO SIMVASTATIN [USP-RS]
Common Name English
BUTANOIC ACID, 2,2-DIMETHYL-, (1S,3R,7S,8S,8AR)-8-(2-((2R)-3,6-DIHYDRO-6-OXO-2H-PYRAN-2-YL)ETHYL)-1,2,3,7,8,8A-HEXAHYDRO-3,7-DIMETHYL-1-NAPHTHALENYL ESTER
Systematic Name English
DEHYDROSIMVASTATIN
Common Name English
SIMVASTATIN IMPURITY, ANHYDRO SIMVASTATIN- [USP IMPURITY]
Common Name English
ANHYDRO-SIMVASTATIN
Common Name English
Code System Code Type Description
CAS
210980-68-0
Created by admin on Sat Dec 16 08:35:20 GMT 2023 , Edited by admin on Sat Dec 16 08:35:20 GMT 2023
PRIMARY
PUBCHEM
58855087
Created by admin on Sat Dec 16 08:35:20 GMT 2023 , Edited by admin on Sat Dec 16 08:35:20 GMT 2023
PRIMARY
RS_ITEM_NUM
1035402
Created by admin on Sat Dec 16 08:35:20 GMT 2023 , Edited by admin on Sat Dec 16 08:35:20 GMT 2023
PRIMARY
FDA UNII
3Z35AA0H0B
Created by admin on Sat Dec 16 08:35:20 GMT 2023 , Edited by admin on Sat Dec 16 08:35:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID00175328
Created by admin on Sat Dec 16 08:35:20 GMT 2023 , Edited by admin on Sat Dec 16 08:35:20 GMT 2023
PRIMARY