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Substance Name: Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-hexyl-, hemihydrate
RN: 57872-78-3
InChIKey: REJSWSGRGOCNSY-MEQWQQMJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N6-O4.1/2H2-O

Molecular Weight

  • 364.4036
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57872-78-3

System Generated Number

  • 0057872783

Molecular Formulas

Molecular Formula

  • C16-H24-N6-O4.1/2H2-O

Molecular Formula Fragments

  • C16-H24-N6-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H24N6O4/c1-2-3-4-5-6-18-15(25)12-10(23)11(24)16(26-12)22-8-21-9-13(17)19-7-20-14(9)22/h7-8,10-12,16,23-24H,2-6H2,1H3,(H,18,25)(H2,17,19,20)/t10-,11+,12-,16+/m0/s1

InChIKey

REJSWSGRGOCNSY-MEQWQQMJSA-N

Smiles

CCCCCCNC(=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 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980.