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

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=CC=C4F

InChI

InChIKey=OBQFYRYCMDREFB-AKIFATBCSA-N
InChI=1S/C24H21F2NO3/c25-16-7-9-17(10-8-16)27-23(15-5-11-18(28)12-6-15)20(24(27)30)13-14-22(29)19-3-1-2-4-21(19)26/h1-12,20,22-23,28-29H,13-14H2/t20-,22+,23-/m1/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 Wed Apr 02 17:05:49 GMT 2025
Edited
by admin
on Wed Apr 02 17:05:49 GMT 2025
Record UNII
CYR2P96EM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(2-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone
Systematic Name English
o-Fluorobenzene isomer [USP-NF]
Preferred Name English
2-Azetidinone, 1-(4-fluorophenyl)-3-[(3S)-3-(2-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3R,4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
125281874
Created by admin on Wed Apr 02 17:05:49 GMT 2025 , Edited by admin on Wed Apr 02 17:05:49 GMT 2025
PRIMARY
CAS
2743547-96-6
Created by admin on Wed Apr 02 17:05:49 GMT 2025 , Edited by admin on Wed Apr 02 17:05:49 GMT 2025
PRIMARY
FDA UNII
CYR2P96EM7
Created by admin on Wed Apr 02 17:05:49 GMT 2025 , Edited by admin on Wed Apr 02 17:05:49 GMT 2025
PRIMARY