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Details

Stereochemistry ACHIRAL
Molecular Formula C29H19Cl2N2O5.Na
Molecular Weight 569.367
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Danifexor sodium

SMILES

[Na+].[O-]C(=O)C1=CC=C(OC2=CC3=C(C=C2)C=C(OCC4=C(ON=C4C5=C(Cl)C=CC=C5Cl)C6CC6)C=C3)N=C1

InChI

InChIKey=KQVRXUPVIIDQAZ-UHFFFAOYSA-M
InChI=1S/C29H20Cl2N2O5.Na/c30-23-2-1-3-24(31)26(23)27-22(28(38-33-27)16-4-5-16)15-36-20-9-6-18-13-21(10-7-17(18)12-20)37-25-11-8-19(14-32-25)29(34)35;/h1-3,6-14,16H,4-5,15H2,(H,34,35);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C29H19Cl2N2O5
Molecular Weight 546.378
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:03:07 GMT 2025
Edited
by admin
on Wed Apr 02 08:03:07 GMT 2025
Record UNII
VMD1EP4KZL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Danifexor sodium
Common Name English
Sodium 6-((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)naphthalen-2-yl)oxy)nicotinate
Preferred Name English
3-Pyridinecarboxylic acid, 6-[[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methoxy]-2-naphthalenyl]oxy]-, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
164884854
Created by admin on Wed Apr 02 08:03:07 GMT 2025 , Edited by admin on Wed Apr 02 08:03:07 GMT 2025
PRIMARY
FDA UNII
VMD1EP4KZL
Created by admin on Wed Apr 02 08:03:07 GMT 2025 , Edited by admin on Wed Apr 02 08:03:07 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY