N-DESMETHYL ROSUVASTATIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26FN3O6S
Molecular Weight	467.511
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)C(=NC(NS(C)(=O)=O)=N1)C2=CC=C(F)C=C2

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	467.511
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Mar 06 11:45:06 UTC 2018` Edited by `admin` on `Tue Mar 06 11:45:06 UTC 2018`
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 Tue Mar 06 11:45:06 UTC 2018 , Edited by admin on Tue Mar 06 11:45:06 UTC 2018

PRIMARY

EPA CompTox

371775-74-5

Created by admin on Tue Mar 06 11:45:06 UTC 2018 , Edited by admin on Tue Mar 06 11:45:06 UTC 2018

PRIMARY

PUBCHEM

9956224

Created by admin on Tue Mar 06 11:45:06 UTC 2018 , Edited by admin on Tue Mar 06 11:45:06 UTC 2018

PRIMARY

SWITZERF

Related Record Type Details


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ROSUVASTATIN

PARENT -> METABOLITE LESS ACTIVE