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Substance Name: 9H-Purin-6-ol, 9-(p-nitrobenzyl)-
RN: 13233-86-8
InChIKey: AWOOIVCGPKFRJZ-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-N5-O3

Molecular Weight

  • 271.2351
 
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Names and Synonyms

Synonyms

  • 9-(p-Nitrobenzyl)-9H-purin-6-ol
  • 9H-Purin-6-ol, 9-(p-nitrobenzyl)-
  • BRN 1151826
  • NSC 211694

Systematic Names

  • 6H-Purin-6-one, 1,9-dihydro-9-((4-nitrophenyl)methyl)- (9CI)
  • 9H-Purin-6-ol, 9-(p-nitrobenzyl)-

Registry Numbers

CAS Registry Number

  • 13233-86-8

System Generated Number

  • 0013233868

Structure Descriptors

InChI

1S/C12H9N5O3/c18-12-10-11(13-6-14-12)16(7-15-10)5-8-1-3-9(4-2-8)17(19)20/h1-4,6-7H,5H2,(H,13,14,18)

InChIKey

AWOOIVCGPKFRJZ-UHFFFAOYSA-N

Smiles

c1cc(ccc1Cn2cnc3c2ncnc3O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03812,