ATORVASTATIN, (3R,5S)-REL-

Details

Stereochemistry	RACEMIC
Molecular Formula	C33H35FN2O5
Molecular Weight	558.6398
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@H](O)C[C@@H](O)CC(O)=O)C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=XUKUURHRXDUEBC-RRPNLBNLSA-N

InChI=1S/C33H35FN2O5/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/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H35FN2O5
Molecular Weight	558.6398
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:50:54 GMT 2023` Edited by `admin` on `Sat Dec 16 19:50:54 GMT 2023`
Record UNII	N83NVU26HZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATORVASTATIN, (3R,5S)-REL-

Common Name

English

rel-(βR,δS)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid

Systematic Name

English

ATORVASTATIN CALCIUM IMPURITY B [EP IMPURITY]

Common Name

English

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

Systematic Name

English

(3RS,5SR)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

46780495

Created by admin on Sat Dec 16 19:50:54 GMT 2023 , Edited by admin on Sat Dec 16 19:50:54 GMT 2023

PRIMARY

CAS

791553-16-7

Created by admin on Sat Dec 16 19:50:54 GMT 2023 , Edited by admin on Sat Dec 16 19:50:54 GMT 2023

PRIMARY

FDA UNII

N83NVU26HZ

Created by admin on Sat Dec 16 19:50:54 GMT 2023 , Edited by admin on Sat Dec 16 19:50:54 GMT 2023

PRIMARY

Related Record Type Details


					48A5M73Z4Q

ATORVASTATIN CALCIUM TRIHYDRATE

PARENT -> IMPURITY

Amount: