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Substance Name: 5'-N-Methylcarboxamideadenosine
RN: 35788-27-3
InChIKey: PLYRYAHDNXANEG-QMWPFBOUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C11-H14-N6-O4
  • C11-H14-N6-O4.1/2H2-O

Molecular Weight

  • 294.2696
 
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Names and Synonyms

Name of Substance

  • 5'-N-Methylcarboxamideadenosine

Synonyms

  • 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-methylribofuranuronamide hemihydrate
  • Adenosine-5'-(N-methyl)carboxamide hemihydrate
  • NSC 148458

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 35788-27-3

System Generated Number

  • 0035788273

Molecular Formulas

Molecular Formulas

  • C11-H14-N6-O4
  • C11-H14-N6-O4.1/2H2-O

Molecular Formula Fragments

  • C11-H14-N6-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1

InChIKey

PLYRYAHDNXANEG-QMWPFBOUSA-N

Smiles

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 5mg/kg (5mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980.
mouse LD50 oral 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980.