ANHYDRO SIMVASTATIN

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 Search

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12

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

Molecular Formula	C25H36O4
Molecular Weight	400.5509
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:11:21 GMT 2025` Edited by `admin` on `Mon Mar 31 22:11:21 GMT 2025`
Record UNII	3Z35AA0H0B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANHYDRO SIMVASTATIN

Common Name

English

ANHYDRO SIMVASTATIN [USP-RS]

Preferred 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

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