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Substance Name: Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-propynyl)-
RN: 51094-98-5
InChIKey: YDTVWSYKLQAQHX-QRIDJOKKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N6-O4

Molecular Weight

  • 318.2916
 
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Names and Synonyms

Synonyms

  • 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-(2-propynyl)ribofuranuronamide
  • Adenosine-5'-(N-(2-propynyl))carboxamide
  • BRN 0584575

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51094-98-5

System Generated Number

  • 0051094985

Structure Descriptors

InChI

1S/C13H14N6O4/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/h1,4-5,7-9,13,20-21H,3H2,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1

InChIKey

YDTVWSYKLQAQHX-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.