(3R,5R)-7-(((3R,5R)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXYHEPTANOYL)AMINO)-3,5-DIHYDROXYHEPTANOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H48FN3O8
Molecular Weight	717.8228
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3R,5R)-7-(((3R,5R)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXYHEPTANOYL)AMINO)-3,5-DIHYDROXYHEPTANOIC ACID

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)NCC[C@@H](O)C[C@@H](O)CC(O)=O)C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=UNBQUGGVWQTSGG-XEXPGFJZSA-N

InChI=1S/C40H48FN3O8/c1-25(2)38-37(40(52)43-29-11-7-4-8-12-29)36(26-9-5-3-6-10-26)39(27-13-15-28(41)16-14-27)44(38)20-18-31(46)22-32(47)23-34(49)42-19-17-30(45)21-33(48)24-35(50)51/h3-16,25,30-33,45-48H,17-24H2,1-2H3,(H,42,49)(H,43,52)(H,50,51)/t30-,31-,32-,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H48FN3O8
Molecular Weight	717.8228
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:32:17 GMT 2025` Edited by `admin` on `Mon Mar 31 21:32:17 GMT 2025`
Record UNII	NM4ME645TL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATORVASTATIN CALCIUM IMPURITY F [EP IMPURITY]

Preferred Name

English

(3R,5R)-7-(((3R,5R)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXYHEPTANOYL)AMINO)-3,5-DIHYDROXYHEPTANOIC ACID

Common Name

English

HEPTANOIC ACID, 7-(((3R,5R)-7-(2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXY-1-OXOHEPTYL)AMINO)-3,5-DIHYDROXY-, (3R,5R)-

Common Name

English

ATORVASTATIN DIAMINO [USP IMPURITY]

Common Name

English

Code System Code Type Description

CAS

887196-24-9

Created by admin on Mon Mar 31 21:32:17 GMT 2025 , Edited by admin on Mon Mar 31 21:32:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID20237275

Created by admin on Mon Mar 31 21:32:17 GMT 2025 , Edited by admin on Mon Mar 31 21:32:17 GMT 2025

PRIMARY

FDA UNII

NM4ME645TL

Created by admin on Mon Mar 31 21:32:17 GMT 2025 , Edited by admin on Mon Mar 31 21:32:17 GMT 2025

PRIMARY

PUBCHEM

57831782

Created by admin on Mon Mar 31 21:32:17 GMT 2025 , Edited by admin on Mon Mar 31 21:32:17 GMT 2025

PRIMARY

Related Record Type Details


					48A5M73Z4Q

ATORVASTATIN CALCIUM TRIHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: