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Substance Name: beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-ethoxy-2-oxoethyl)-, monohydrate
RN: 57872-81-8
InChIKey: VZUNMSKYLUGGPY-AEISUSGSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-N6-O6.H2-O

Molecular Weight

  • 366.3322
 
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Names and Synonyms

Synonym

  • 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-((ethoxycarbonyl)methyl)-beta-D-ribofuranuronamide hydrate

Systematic Name

  • beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-ethoxy-2-oxoethyl)-, monohydrate

Registry Numbers

CAS Registry Number

  • 57872-81-8

System Generated Number

  • 0057872818

Molecular Formulas

Molecular Formula

  • C14-H18-N6-O6.H2-O

Molecular Formula Fragments

  • C14-H18-N6-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H18N6O6/c1-2-25-6(21)3-16-13(24)10-8(22)9(23)14(26-10)20-5-19-7-11(15)17-4-18-12(7)20/h4-5,8-10,14,22-23H,2-3H2,1H3,(H,16,24)(H2,15,17,18)/t8-,9+,10-,14+/m0/s1

InChIKey

VZUNMSKYLUGGPY-AEISUSGSSA-N

Smiles

CCOC(=O)CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980.
mouse LD50 oral > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980.