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Substance Name: Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-propoxy-, hemihydrate
RN: 72758-46-4
InChIKey: CVOPCRKQIUYSKT-QRIDJOKKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N6-O5.1/2H2-O

Molecular Weight

  • 338.3222
 
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Names and Synonyms

Synonyms

  • 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-propoxyribofuranuronamide hemihydrate
  • Adenosine-5'-(N-propoxy)carboxamide hemihydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72758-46-4

System Generated Number

  • 0072758464

Molecular Formulas

Molecular Formula

  • C13-H18-N6-O5.1/2H2-O

Molecular Formula Fragments

  • C13-H18-N6-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H18N6O5/c1-2-3-23-18-12(22)9-7(20)8(21)13(24-9)19-5-17-6-10(14)15-4-16-11(6)19/h4-5,7-9,13,20-21H,2-3H2,1H3,(H,18,22)(H2,14,15,16)/t7-,8+,9-,13+/m0/s1

InChIKey

CVOPCRKQIUYSKT-QRIDJOKKSA-N

Smiles

CCCONC(=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.