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Substance Name: 8-(o-Chlorobenzylidene)hydrazinocaffeine
RN: 6299-72-5
InChIKey: TUIDEBOPTMWLGD-CAOOACKPSA-N

Molecular Formula

  • C15-H15-Cl-N6-O2

Molecular Weight

  • 346.7765
 
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Names and Synonyms

Results Name

  • 8-(o-Chlorobenzylidene)hydrazinocaffeine

Synonyms

  • 8-(o-Chlorobenzylidene)hydrazinocaffeine
  • Benzaldehyde, o-chloro-, (1,3,7-trimethylxanthinyl)hydrazone
  • Caffeine, 8-(o-chlorobenzylidene)hydrazino-
  • NSC 44958
  • o-Chlorobenzaldehyde (1,3,7-trimethylxanthinyl)hydrazone
  • o-Chlorobenzaldehyde-8-caffeine-hydrazone

Systematic Names

  • Benzaldehyde, o-chloro-, (1,2,3,6-tetrahydro-1,3,7-trimethyl-2,6-dioxopurin-8-yl)hydrazone (8CI)
  • Benzaldehyde, o-chloro-, (1,3,7-trimethylxanthinyl)hydrazone

Registry Numbers

CAS Registry Number

  • 6299-72-5

System Generated Number

  • 0006299725

Structure Descriptors

InChI

1S/C15H15ClN6O2/c1-20-11-12(21(2)15(24)22(3)13(11)23)18-14(20)19-17-8-9-6-4-5-7-10(9)16/h4-8H,1-3H3,(H,18,19)/b17-8+

InChIKey

TUIDEBOPTMWLGD-CAOOACKPSA-N

Smiles

Cn1c2c(nc1N/N=C/c3ccccc3Cl)n(c(=O)n(c2=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04391,