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Substance Name: beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-hydroxy-3-(3-methylphenoxy)propyl)-
RN: 72758-48-6
InChIKey: BVJDYFNNNLXZEG-TWPVINNASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N6-O6

Molecular Weight

  • 444.4456
 
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Names and Synonyms

Synonym

  • BRN 5672400

Systematic Name

  • beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-hydroxy-3-(3-methylphenoxy)propyl)-

Registry Numbers

CAS Registry Number

  • 72758-48-6

System Generated Number

  • 0072758486

Structure Descriptors

InChI

1S/C20H24N6O6/c1-10-3-2-4-12(5-10)31-7-11(27)6-22-19(30)16-14(28)15(29)20(32-16)26-9-25-13-17(21)23-8-24-18(13)26/h2-5,8-9,11,14-16,20,27-29H,6-7H2,1H3,(H,22,30)(H2,21,23,24)/t11?,14-,15+,16-,20+/m0/s1

InChIKey

BVJDYFNNNLXZEG-TWPVINNASA-N

Smiles

Cc1cccc(c1)OCC(CNC(=O)[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980.
mouse LD50 oral > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 313, 1980.