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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H22F2NO4.Na
Molecular Weight 449.4224
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium (2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino](4-hydroxyphenyl)methyl]-5-hydroxypentanoate

SMILES

[Na+].O[C@@H](CC[C@H]([C@H](NC1=CC=C(F)C=C1)C2=CC=C(O)C=C2)C([O-])=O)C3=CC=C(F)C=C3

InChI

InChIKey=KZJBZXOASLIQKH-HZLAGBECSA-M
InChI=1S/C24H23F2NO4.Na/c25-17-5-1-15(2-6-17)22(29)14-13-21(24(30)31)23(16-3-11-20(28)12-4-16)27-19-9-7-18(26)8-10-19;/h1-12,21-23,27-29H,13-14H2,(H,30,31);/q;+1/p-1/t21-,22+,23-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Sodium (2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino](4-hydroxyphenyl)methyl]-5-hydroxypentanoate
Preferred Name English
Code System Code Type Description
FDA UNII
VP89AHQ4ZL
Created by admin on Wed Apr 02 19:33:56 GMT 2025 , Edited by admin on Wed Apr 02 19:33:56 GMT 2025
PRIMARY
PUBCHEM
139024941
Created by admin on Wed Apr 02 19:33:56 GMT 2025 , Edited by admin on Wed Apr 02 19:33:56 GMT 2025
PRIMARY
CAS
2514543-26-9
Created by admin on Wed Apr 02 19:33:56 GMT 2025 , Edited by admin on Wed Apr 02 19:33:56 GMT 2025
PRIMARY