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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40O6
Molecular Weight 460.6039
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETYL SIMVASTATIN

SMILES

CCC(C)(C)C(=O)O[C@@]1([H])C[C@@]([H])(C)C=C2C=C[C@]([H])(C)[C@]([H])(CC[C@]3([H])C[C@]([H])(CC(=O)O3)OC(=O)C)[C@]21[H]

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

Molecular Formula C27H40O6
Molecular Weight 460.6039
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:41:48 UTC 2021
Edited
by admin
on Sat Jun 26 06:41:48 UTC 2021
Record UNII
171OXS3HEK
Record Status Validated (UNII)
Record Version
  • Download
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, ACETYL SIMVASTATIN- [USP]
Common Name English
4'-ACETYLSIMVASTATIN
Common Name English
ACETYL SIMVASTATIN [USP-RS]
Common Name English
SIMVASTATIN ACETATE
Common Name English
SIMVASTATIN SPECIFIED IMPURITY B [EP]
Common Name English
SIMVASTATIN ACETATE ESTER
Common Name English
Code System Code Type Description
CAS
145576-25-6
Created by admin on Sat Jun 26 06:41:48 UTC 2021 , Edited by admin on Sat Jun 26 06:41:48 UTC 2021
PRIMARY
PUBCHEM
11812557
Created by admin on Sat Jun 26 06:41:48 UTC 2021 , Edited by admin on Sat Jun 26 06:41:48 UTC 2021
PRIMARY
DRUG BANK
DB14648
Created by admin on Sat Jun 26 06:41:48 UTC 2021 , Edited by admin on Sat Jun 26 06:41:48 UTC 2021
PRIMARY
EPA CompTox
145576-25-6
Created by admin on Sat Jun 26 06:41:48 UTC 2021 , Edited by admin on Sat Jun 26 06:41:48 UTC 2021
PRIMARY
USP_CATALOG
1010208
Created by admin on Sat Jun 26 06:41:48 UTC 2021 , Edited by admin on Sat Jun 26 06:41:48 UTC 2021
PRIMARY USP-RS
FDA UNII
171OXS3HEK
Created by admin on Sat Jun 26 06:41:48 UTC 2021 , Edited by admin on Sat Jun 26 06:41:48 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP