Ezetimibe ketone

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H19F2NO3
Molecular Weight	407.4094
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC=C(C=C1)[C@@H]2[C@@H](CCC(=O)C3=CC=C(F)C=C3)C(=O)N2C4=CC=C(F)C=C4

InChI

InChIKey=UEPZDXMEEKCJSP-FYYLOGMGSA-N

InChI=1S/C24H19F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21,23,28H,13-14H2/t21-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H19F2NO3
Molecular Weight	407.4094
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 `Mon Mar 31 22:40:17 GMT 2025` Edited by `admin` on `Mon Mar 31 22:40:17 GMT 2025`
Record UNII	9D3ASE5ZPY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ezetimibe ketone

Common Name

English

SCH-57871

Preferred Name

English

(3R,4S)-1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one

Systematic Name

English

(3R,4S)-1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)-2-azetidinone

Systematic Name

English

2-Azetidinone, 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)-, (3R-trans)-

Systematic Name

English

2-Azetidinone, 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)-, (3R,4S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

9D3ASE5ZPY

Created by admin on Mon Mar 31 22:40:17 GMT 2025 , Edited by admin on Mon Mar 31 22:40:17 GMT 2025

PRIMARY

PUBCHEM

9801494

Created by admin on Mon Mar 31 22:40:17 GMT 2025 , Edited by admin on Mon Mar 31 22:40:17 GMT 2025

PRIMARY

CAS

191330-56-0

Created by admin on Mon Mar 31 22:40:17 GMT 2025 , Edited by admin on Mon Mar 31 22:40:17 GMT 2025

PRIMARY

EPA CompTox

DTXSID10430935

Created by admin on Mon Mar 31 22:40:17 GMT 2025 , Edited by admin on Mon Mar 31 22:40:17 GMT 2025

PRIMARY

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Ezetimibe

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

FECAL

Amount:

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					EOR26LQQ24

Ezetimibe

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: