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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40O6
Molecular Weight 460.6029
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYL SIMVASTATIN

SMILES

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

InChI

InChIKey=OHVWRJDVJRNCPE-BIKFJBPRSA-N
InChI=1S/C27H40O6/c1-7-27(5,6)26(30)33-23-13-16(2)12-19-9-8-17(3)22(25(19)23)11-10-20-14-21(31-18(4)28)15-24(29)32-20/h8-9,12,16-17,20-23,25H,7,10-11,13-15H2,1-6H3/t16-,17-,20+,21+,22-,23-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ACETYL SIMVASTATIN
USP-RS  
Common Name English
(1S,3R,7S,8S,8AR)-8-(2-((2R,4R)-4-(ACETYLOXY)-6-OXOTETRAHYDRO-2H-PYRAN-2-YL)ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8AHEXAHYDRONAPHTHALEN-1-YL 2,2-DIMETHYLBUTANOATE
Systematic Name English
BUTANOIC ACID, 2,2-DIMETHYL-, (1S,3R,7S,8S,8AR)-8-(2-((2R,4R)-4-(ACETYLOXY)TETRAHYDRO-6-OXO-2H-PYRAN-2-YL)ETHYL)-1,2,3,7,8,8A-HEXAHYDRO-3,7-DIMETHYL-1-NAPHTHALENYL ESTER
Systematic Name English
SIMVASTATIN IMPURITY B [EP IMPURITY]
Common Name English
4'-ACETYLSIMVASTATIN
Common Name English
ACETYL SIMVASTATIN [USP-RS]
Common Name English
SIMVASTATIN ACETATE
Common Name English
SIMVASTATIN IMPURITY, ACETYL SIMVASTATIN- [USP IMPURITY]
Common Name English
SIMVASTATIN ACETATE ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10163099
Created by admin on Sat Dec 16 07:59:10 GMT 2023 , Edited by admin on Sat Dec 16 07:59:10 GMT 2023
PRIMARY
CAS
145576-25-6
Created by admin on Sat Dec 16 07:59:10 GMT 2023 , Edited by admin on Sat Dec 16 07:59:10 GMT 2023
PRIMARY
PUBCHEM
11812557
Created by admin on Sat Dec 16 07:59:10 GMT 2023 , Edited by admin on Sat Dec 16 07:59:10 GMT 2023
PRIMARY
DRUG BANK
DB14648
Created by admin on Sat Dec 16 07:59:10 GMT 2023 , Edited by admin on Sat Dec 16 07:59:10 GMT 2023
PRIMARY
RS_ITEM_NUM
1010208
Created by admin on Sat Dec 16 07:59:10 GMT 2023 , Edited by admin on Sat Dec 16 07:59:10 GMT 2023
PRIMARY
FDA UNII
171OXS3HEK
Created by admin on Sat Dec 16 07:59:10 GMT 2023 , Edited by admin on Sat Dec 16 07:59:10 GMT 2023
PRIMARY