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Substance Name: 9-(2-Fluorobenzyl)-6-(methylamino)-9H-purine
RN: 101155-02-6
InChIKey: MZABAGHILOTTOD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-F-N5

Molecular Weight

  • 257.2708
 
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Names and Synonyms

Name of Substance

  • 9-(2-Fluorobenzyl)-6-(methylamino)-9H-purine

Synonyms

  • 9-((2-Fluorophenyl)methyl)-N-methyl-9H-purin-6-amine
  • BRN 4517870
  • BW A78U

Systematic Name

  • 9H-Purin-6-amine, 9-((2-fluorophenyl)methyl)-N-methyl-

Registry Numbers

CAS Registry Number

  • 101155-02-6

Related Registry Number

  • 101190-60-7 (hydrochloride)

System Generated Number

  • 0101155026

Structure Descriptors

InChI

1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)

InChIKey

MZABAGHILOTTOD-UHFFFAOYSA-N

Smiles

CNc1c2c(ncn1)n(cn2)Cc3ccccc3F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg)   Journal of Heterocyclic Chemistry. Vol. 25, Pg. 1255, 1988.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Heterocyclic Chemistry. Vol. 25, Pg. 1255, 1988.
rat LD50 oral > 1gm/kg (1000mg/kg) BEHAVIORAL: ATAXIA Journal of Medicinal Chemistry. Vol. 29, Pg. 1133, 1986.