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Substance Name: Phenobarbital, C-13
RN: 52947-04-3
UNII: 5I8VG6X2HS
InChIKey: DDBREPKUVSBGFI-YTRBIBCTSA-N

Molecular Formula

  • C12-H12-N2-O3

Molecular Weight

  • 235.2132
 
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Names and Synonyms

Name of Substance

  • Phenobarbital, C-13

Synonyms

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione-2,4,5-13C3, 5-ethyl-5-phenyl-
  • Phenobarbital, C-13
  • UNII-5I8VG6X2HS

Registry Numbers

CAS Registry Number

  • 52947-04-3

FDA UNII

  • 5I8VG6X2HS

System Generated Number

  • 0052947043

Structure Descriptors

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

InChIKey

DDBREPKUVSBGFI-YTRBIBCTSA-N

Smiles

CC[13C]1([13C](=O)N[13C](=O)NC1=O)c2ccccc2