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Substance Name: Theophylline, 8-(o-nitrobenzyl)-
RN: 73908-81-3
InChIKey: BPBTWJFRRRBRGJ-UHFFFAOYSA-N

Molecular Formula

  • C14-H13-N5-O4

Molecular Weight

  • 315.2877
 
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Names and Synonyms

Synonym

  • 8-(o-Nitrobenzyl)theophylline

Systematic Name

  • Theophylline, 8-(o-nitrobenzyl)-

Registry Numbers

CAS Registry Number

  • 73908-81-3

System Generated Number

  • 0073908813

Structure Descriptors

InChI

1S/C14H13N5O4/c1-17-12-11(13(20)18(2)14(17)21)15-10(16-12)7-8-5-3-4-6-9(8)19(22)23/h3-6H,7H2,1-2H3,(H,15,16)

InChIKey

BPBTWJFRRRBRGJ-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Cc3ccccc3[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04365,