3-HYDROXYSIMVASTATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H38O6
Molecular Weight	434.5656
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=KIRUKUNOKFLNSA-MCISNENESA-N

InChI=1S/C25H38O6/c1-6-25(4,5)24(29)31-21-10-14(2)9-16-11-20(27)15(3)19(23(16)21)8-7-18-12-17(26)13-22(28)30-18/h9,11,14-15,17-19,21,23,26-27H,6-8,10,12-13H2,1-5H3/t14-,15+,17+,18+,19-,21-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H38O6
Molecular Weight	434.5656
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 `Fri Dec 15 19:51:58 GMT 2023` Edited by `admin` on `Fri Dec 15 19:51:58 GMT 2023`
Record UNII	WVI85YMP83
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-HYDROXYSIMVASTATIN

Common Name

English

SIMVASTATIN, 3-HYDROXY-

Common Name

English

BUTANOIC ACID, 2,2-DIMETHYL-, (1S,3R,7R,8R,8AR)-1,2,3,7,8,8A-HEXAHYDRO-6-HYDROXY-3,7-DIMETHYL-8-(2-((2R,4R)-TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-1-NAPHTHALENYL ESTER

Common Name

English

Code System Code Type Description

FDA UNII

WVI85YMP83

Created by admin on Fri Dec 15 19:51:58 GMT 2023 , Edited by admin on Fri Dec 15 19:51:58 GMT 2023

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CAS

1402570-54-0

Created by admin on Fri Dec 15 19:51:58 GMT 2023 , Edited by admin on Fri Dec 15 19:51:58 GMT 2023

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EPA CompTox

DTXSID80161289

Created by admin on Fri Dec 15 19:51:58 GMT 2023 , Edited by admin on Fri Dec 15 19:51:58 GMT 2023

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PUBCHEM

71588003

Created by admin on Fri Dec 15 19:51:58 GMT 2023 , Edited by admin on Fri Dec 15 19:51:58 GMT 2023

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Related Record Type Details


					AGG2FN16EV

SIMVASTATIN

PARENT -> METABOLITE ACTIVE

Interaction Type:

MAJOR

Amount: