U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H11N2O3.Na
Molecular Weight 254.2171
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sodium 1,3-dimethyl-5-phenylbarbiturate

SMILES

[Na+].CN1C(=O)[C-](C(=O)N(C)C1=O)C2=CC=CC=C2

InChI

InChIKey=POUMQDIHQILZIF-UHFFFAOYSA-N
InChI=1S/C12H11N2O3.Na/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17;/h3-7H,1-2H3;/q-1;+1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H11N2O3
Molecular Weight 231.2273
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 Sat Dec 16 20:17:41 GMT 2023
Edited
by admin
on Sat Dec 16 20:17:41 GMT 2023
Record UNII
4HYZ2YG356
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sodium 1,3-dimethyl-5-phenylbarbiturate
Systematic Name English
NSC-128098
Code English
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-phenyl-, ion(1-), sodium
Systematic Name English
Code System Code Type Description
CAS
94201-52-2
Created by admin on Sat Dec 16 20:17:41 GMT 2023 , Edited by admin on Sat Dec 16 20:17:41 GMT 2023
PRIMARY
FDA UNII
4HYZ2YG356
Created by admin on Sat Dec 16 20:17:41 GMT 2023 , Edited by admin on Sat Dec 16 20:17:41 GMT 2023
PRIMARY
NSC
128098
Created by admin on Sat Dec 16 20:17:41 GMT 2023 , Edited by admin on Sat Dec 16 20:17:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE