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Substance Name: beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-N-2-propenyl-
RN: 58048-27-4
InChIKey: SAMMLWILXNFZDG-JNIYBQFBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N6-O4

Molecular Weight

  • 360.372
 
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Names and Synonyms

Synonym

  • BRN 0583546

Systematic Name

  • beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-N-2-propenyl-

Registry Numbers

CAS Registry Number

  • 58048-27-4

System Generated Number

  • 0058048274

Structure Descriptors

InChI

1S/C16H20N6O4/c1-4-5-18-14(23)10-9-11(26-16(2,3)25-9)15(24-10)22-7-21-8-12(17)19-6-20-13(8)22/h4,6-7,9-11,15H,1,5H2,2-3H3,(H,18,23)(H2,17,19,20)/t9-,10+,11-,15-/m1/s1

InChIKey

SAMMLWILXNFZDG-JNIYBQFBSA-N

Smiles

CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)NCC=C)n3cnc4c3ncnc4N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/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.