U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H21F2NO3
Molecular Weight 409.4252
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3S,4S)-1-(4-Fluorophenyl)-3-[(S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one

SMILES

O[C@@H](CC[C@H]1[C@H](N(C1=O)C2=CC=C(F)C=C2)C3=CC=C(O)C=C3)C4=CC=C(F)C=C4

InChI

InChIKey=OLNTVTPDXPETLC-RJGXRXQPSA-N
InChI=1S/C24H21F2NO3/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/h1-12,21-23,28-29H,13-14H2/t21-,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H21F2NO3
Molecular Weight 409.4252
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:08:19 GMT 2023
Edited
by admin
on Sat Dec 16 16:08:19 GMT 2023
Record UNII
4LK8SY3P76
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S,4S)-1-(4-Fluorophenyl)-3-[(S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
Systematic Name English
2-Azetidinone, 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3S,4S)-
Systematic Name English
S,S,S-Ezetimibe
Common Name English
Code System Code Type Description
PUBCHEM
42066912
Created by admin on Sat Dec 16 16:08:19 GMT 2023 , Edited by admin on Sat Dec 16 16:08:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID101111439
Created by admin on Sat Dec 16 16:08:19 GMT 2023 , Edited by admin on Sat Dec 16 16:08:19 GMT 2023
PRIMARY
FDA UNII
4LK8SY3P76
Created by admin on Sat Dec 16 16:08:19 GMT 2023 , Edited by admin on Sat Dec 16 16:08:19 GMT 2023
PRIMARY
CAS
1593543-07-7
Created by admin on Sat Dec 16 16:08:19 GMT 2023 , Edited by admin on Sat Dec 16 16:08:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP