6-EXOMETHYLENESIMVASTATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O5
Molecular Weight	416.5503
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=WDTQWJUBUXHODX-BGYTUHEHSA-N

InChI=1S/C25H36O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,16,18-21,23,26H,2,6,9-10,12-14H2,1,3-5H3/t16-,18+,19+,20-,21-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O5
Molecular Weight	416.5503
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 `Fri Dec 15 19:50:36 GMT 2023` Edited by `admin` on `Fri Dec 15 19:50:36 GMT 2023`
Record UNII	72UQ8975UG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-EXOMETHYLENESIMVASTATIN

Common Name

English

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

Common Name

English

SIMVASTATIN, 6-EXOMETHYLENE-

Common Name

English

SIMVASTATIN, 3-EXOMETHYLENE-

Common Name

English

BUTANOIC ACID, 2,2-DIMETHYL-, 1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-3-METHYLENE-8-(2-(TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-1-NAPHTHALENYL ESTER, (1S-(1.ALPHA.,7.BETA.,8.BETA.(2S*,4S*),8A.BETA.))-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10153319

Created by admin on Fri Dec 15 19:50:36 GMT 2023 , Edited by admin on Fri Dec 15 19:50:36 GMT 2023

PRIMARY

CAS

121624-18-8

Created by admin on Fri Dec 15 19:50:36 GMT 2023 , Edited by admin on Fri Dec 15 19:50:36 GMT 2023

PRIMARY

PUBCHEM

15925972

Created by admin on Fri Dec 15 19:50:36 GMT 2023 , Edited by admin on Fri Dec 15 19:50:36 GMT 2023

PRIMARY

FDA UNII

72UQ8975UG

Created by admin on Fri Dec 15 19:50:36 GMT 2023 , Edited by admin on Fri Dec 15 19:50:36 GMT 2023

PRIMARY

Related Record Type Details


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SIMVASTATIN

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