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Details

Stereochemistry ACHIRAL
Molecular Formula C18H15N2O2S.Na
Molecular Weight 346.379
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Darbinurad sodium

SMILES

[Na+].[O-]C(=O)CC3(CSC1=CC=NC=C1C2=CC=C(C=C2)C#N)CC3

InChI

InChIKey=NLLOVFGKUOFZPH-UHFFFAOYSA-M
InChI=1S/C18H16N2O2S.Na/c19-10-13-1-3-14(4-2-13)15-11-20-8-5-16(15)23-12-18(6-7-18)9-17(21)22;/h1-5,8,11H,6-7,9,12H2,(H,21,22);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C18H15N2O2S
Molecular Weight 323.389
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 Tue Apr 01 21:58:02 GMT 2025
Edited
by admin
on Tue Apr 01 21:58:02 GMT 2025
Record UNII
CQVSXS19NB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Darbinurad sodium
Common Name English
Cyclopropaneacetic acid, 1-[[[3-(4-cyanophenyl)-4-pyridinyl]thio]methyl]-, sodium salt (1:1)
Preferred Name English
Sodium 2-[1-[[[3-(4-cyanophenyl)pyridin-4-yl]thio]methyl]cyclopropyl]acetate
Systematic Name English
Code System Code Type Description
CAS
2377686-71-8
Created by admin on Tue Apr 01 21:58:02 GMT 2025 , Edited by admin on Tue Apr 01 21:58:02 GMT 2025
PRIMARY
PUBCHEM
139533551
Created by admin on Tue Apr 01 21:58:02 GMT 2025 , Edited by admin on Tue Apr 01 21:58:02 GMT 2025
PRIMARY
FDA UNII
CQVSXS19NB
Created by admin on Tue Apr 01 21:58:02 GMT 2025 , Edited by admin on Tue Apr 01 21:58:02 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY