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Substance Name: Bromanautine
RN: 3427-80-3
UNII: 5A6HSK9TDT
InChIKey: XEBLCFHIRMGKIY-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N-O.C7-H7-Br-N4-O2

Molecular Weight

  • 514.4212
 
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Names and Synonyms

Name of Substance

  • Bromanautine

Synonyms

  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-, compd. with 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1)
  • 1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl-, compd. with 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1)
  • Bromanautine
  • Bromanautine [WHO-DD]
  • Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-, compd. with 8-bromo-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • Theophylline, 8-bromo-, compd. with 2-(diphenylmethoxy)-N,N-dimethylethylamine (1:1)
  • UNII-5A6HSK9TDT

Registry Numbers

CAS Registry Number

  • 3427-80-3

FDA UNII

  • 5A6HSK9TDT

System Generated Number

  • 0003427803

Structure Descriptors

InChI

1S/C17H21NO.C7H7BrN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)

InChIKey

XEBLCFHIRMGKIY-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)Br.CN(C)CCOC(c1ccccc1)c2ccccc2