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Details

Stereochemistry RACEMIC
Molecular Formula C12H12N2O3
Molecular Weight 235.2132
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOBARBITAL, C-13

SMILES

CC[13C]1(C(=O)N[13C](=O)N[13C]1=O)C2=CC=CC=C2

InChI

InChIKey=DDBREPKUVSBGFI-YTRBIBCTSA-N
InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)/i9+1,11+1,12+1

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENOBARBITAL, C-13
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE-2,4,5-13C3, 5-ETHYL-5-PHENYL-
Systematic Name English
Code System Code Type Description
FDA UNII
5I8VG6X2HS
Created by admin on Fri Dec 15 15:31:16 GMT 2023 , Edited by admin on Fri Dec 15 15:31:16 GMT 2023
PRIMARY
PUBCHEM
131801051
Created by admin on Fri Dec 15 15:31:16 GMT 2023 , Edited by admin on Fri Dec 15 15:31:16 GMT 2023
PRIMARY
CAS
52947-04-3
Created by admin on Fri Dec 15 15:31:16 GMT 2023 , Edited by admin on Fri Dec 15 15:31:16 GMT 2023
PRIMARY