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Substance Name: Ribofuranuronamide, N-allyl-1-(6-amino-9H-purin-9-yl)-1-deoxy-, hydrate
RN: 35788-26-2
InChIKey: WFNQSFCAKPHKRZ-QRIDJOKKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N6-O4.H2-O

Molecular Weight

  • 320.3074
 
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Names and Synonyms

Synonyms

  • Adenosine-5'-(N-allyl)carboxamide hydrate
  • N-Allyl-1-(6-amino-9H-purin-9-yl)-1-deoxyribofuranuronamide hydrate

Systematic Name

  • Ribofuranuronamide, N-allyl-1-(6-amino-9H-purin-9-yl)-1-deoxy-, hydrate

Registry Numbers

CAS Registry Number

  • 35788-26-2

System Generated Number

  • 0035788262

Molecular Formulas

Molecular Formula

  • C13-H16-N6-O4.H2-O

Molecular Formula Fragments

  • C13-H16-N6-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H16N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h2,4-5,7-9,13,20-21H,1,3H2,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1

InChIKey

WFNQSFCAKPHKRZ-QRIDJOKKSA-N

Smiles

C=CCNC(=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 200mg/kg (200mg/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.