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Details

Stereochemistry RACEMIC
Molecular Formula C24H21F2NO3
Molecular Weight 409.4252
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of rel-(3S,4R)-1-(4-Fluorophenyl)-3-[(3R)-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 Tue Apr 01 16:26:45 GMT 2025
Edited
by admin
on Tue Apr 01 16:26:45 GMT 2025
Record UNII
8DEP9E76RF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
rel-(3S,4R)-1-(4-Fluorophenyl)-3-[(3R)-3-(2-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone
Systematic Name English
2-Azetidinone, 1-(4-fluorophenyl)-3-[(3R)-3-(2-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3S,4R)-rel-
Preferred Name English
Code System Code Type Description
CAS
1798008-25-9
Created by admin on Tue Apr 01 16:26:45 GMT 2025 , Edited by admin on Tue Apr 01 16:26:45 GMT 2025
PRIMARY
FDA UNII
8DEP9E76RF
Created by admin on Tue Apr 01 16:26:45 GMT 2025 , Edited by admin on Tue Apr 01 16:26:45 GMT 2025
PRIMARY