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Substance Name: Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(p-fluorophenyl)-
RN: 72758-44-2
InChIKey: JYLOVTHDLKSJCE-MEQWQQMJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-F-N6-O4

Molecular Weight

  • 374.3305
 
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Names and Synonyms

Synonyms

  • 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(p-fluorophenyl)ribofuranuronamide
  • Adenosine-5'-(N-(p-fluorophenyl))carboxamide
  • BRN 5658528

Systematic Name

  • Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(p-fluorophenyl)-

Registry Numbers

CAS Registry Number

  • 72758-44-2

System Generated Number

  • 0072758442

Structure Descriptors

InChI

1S/C16H15FN6O4/c17-7-1-3-8(4-2-7)22-15(26)12-10(24)11(25)16(27-12)23-6-21-9-13(18)19-5-20-14(9)23/h1-6,10-12,16,24-25H,(H,22,26)(H2,18,19,20)/t10-,11+,12-,16+/m0/s1

InChIKey

JYLOVTHDLKSJCE-MEQWQQMJSA-N

Smiles

c1cc(ccc1NC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980.