5-Oxo Atorvastatin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H33FN2O5
Molecular Weight	556.6239
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CCC(=O)C[C@@H](O)CC(O)=O)C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=HIWOZSQQGYAAGY-HHHXNRCGSA-N

InChI=1S/C33H33FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,27,38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H33FN2O5
Molecular Weight	556.6239
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:34:23 GMT 2023` Edited by `admin` on `Sat Dec 16 18:34:23 GMT 2023`
Record UNII	GG8YR784FR
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-Oxo Atorvastatin

Common Name

English

(3R)-7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxy-5-oxoheptanoic acid

Systematic Name

English

1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β-hydroxy-5-(1-methylethyl)-δ-oxo-3-phenyl-4-[(phenylamino)carbonyl]-, (βR)-

Systematic Name

English

Code System Code Type Description

FDA UNII

GG8YR784FR

Created by admin on Sat Dec 16 18:34:24 GMT 2023 , Edited by admin on Sat Dec 16 18:34:24 GMT 2023

PRIMARY

CAS

1391052-82-6

Created by admin on Sat Dec 16 18:34:24 GMT 2023 , Edited by admin on Sat Dec 16 18:34:24 GMT 2023

PRIMARY

PUBCHEM

71751364

Created by admin on Sat Dec 16 18:34:24 GMT 2023 , Edited by admin on Sat Dec 16 18:34:24 GMT 2023

PRIMARY

Related Record Type Details


					A0JWA85V8F

ATORVASTATIN

PARENT -> METABOLITE

Amount: