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Substance Name: Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-phenoxyethyl)-, hemihydrate
RN: 58048-18-3
InChIKey: ONMXMONXYCMOKS-MOROJQBDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N6-O5.1/2H2-O

Molecular Weight

  • 400.393
 
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Names and Synonyms

Synonyms

  • 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2-(phenoxy)ethyl)ribofuranuronamide hemihydrate
  • Adenosine-5'-(N-(2-phenoxyethyl))carboxamide hemihydrate

Systematic Name

  • Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-phenoxyethyl)-, hemihydrate

Registry Numbers

CAS Registry Number

  • 58048-18-3

System Generated Number

  • 0058048183

Molecular Formulas

Molecular Formula

  • C18-H20-N6-O5.1/2H2-O

Molecular Formula Fragments

  • C18-H20-N6-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H20N6O5/c19-15-11-16(22-8-21-15)24(9-23-11)18-13(26)12(25)14(29-18)17(27)20-6-7-28-10-4-2-1-3-5-10/h1-5,8-9,12-14,18,25-26H,6-7H2,(H,20,27)(H2,19,21,22)/t12-,13+,14-,18+/m0/s1

InChIKey

ONMXMONXYCMOKS-MOROJQBDSA-N

Smiles

c1ccc(cc1)OCCNC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O

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.