N-DESMETHYL ROSUVASTATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26FN3O6S
Molecular Weight	467.5129
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)c1c(/C(/[H])=C(\[H])/[C@]([H])(C[C@]([H])(CC(=O)O)O)O)c(-c2ccc(cc2)F)nc(n1)NS(=O)(=O)C

InChI

InChIKey=DJUKMHIJCDJSIJ-GUFYHEMZSA-N

InChI=1S/C21H26FN3O6S/c1-12(2)19-17(9-8-15(26)10-16(27)11-18(28)29)20(13-4-6-14(22)7-5-13)24-21(23-19)25-32(3,30)31/h4-9,12,15-16,26-27H,10-11H2,1-3H3,(H,28,29)(H,23,24,25)/b9-8+/t15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H26FN3O6S
Molecular Weight	467.5129
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Jun 26 14:15:07 UTC 2021` Edited by `admin` on `Sat Jun 26 14:15:07 UTC 2021`
Record UNII	ED3SYK2A2I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL ROSUVASTATIN

Common Name

English

Code System Code Type Description

CAS

371775-74-5

Created by admin on Sat Jun 26 14:15:07 UTC 2021 , Edited by admin on Sat Jun 26 14:15:07 UTC 2021

PRIMARY

EPA CompTox

371775-74-5

Created by admin on Sat Jun 26 14:15:07 UTC 2021 , Edited by admin on Sat Jun 26 14:15:07 UTC 2021

PRIMARY

PUBCHEM

9956224

Created by admin on Sat Jun 26 14:15:07 UTC 2021 , Edited by admin on Sat Jun 26 14:15:07 UTC 2021

PRIMARY

FDA UNII

ED3SYK2A2I

Created by admin on Sat Jun 26 14:15:07 UTC 2021 , Edited by admin on Sat Jun 26 14:15:07 UTC 2021

PRIMARY

Related Record Type Details


					413KH5ZJ73

ROSUVASTATIN

PARENT -> METABOLITE LESS ACTIVE