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Substance Name: L-Iditol, 2-(6-amino-9H-purin-9-yl)-1,4:3,6-dianhydro-2-deoxy-, 5-nitrate, hydrochloride, hydrate (2:2:1)
RN: 81629-30-3
InChIKey: ZBRVXUROAAWIBW-NFAFAGIOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-N6-O5.Cl-H.1/2H2-O

Molecular Weight

  • 344.7137
 
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Names and Synonyms

Synonym

  • 5-(9-Adenyl)-5-desoxy-1.4;3.6-dianhydro-L-iditol 2-nitrate hydrochloride hemihydrate

Systematic Name

  • L-Iditol, 2-(6-amino-9H-purin-9-yl)-1,4:3,6-dianhydro-2-deoxy-, 5-nitrate, hydrochloride, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 81629-30-3

System Generated Number

  • 0081629303

Molecular Formulas

Molecular Formula

  • C11-H12-N6-O5.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C11-H12-N6-O5
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C11H12N6O5.ClH/c12-10-7-11(14-3-13-10)16(4-15-7)5-1-20-9-6(22-17(18)19)2-21-8(5)9;/h3-6,8-9H,1-2H2,(H2,12,13,14);1H/t5-,6-,8+,9+;/m0./s1

InChIKey

ZBRVXUROAAWIBW-NFAFAGIOSA-N

Smiles

c1nc(c2c(n1)n(cn2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-])N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 540mg/kg (540mg/kg)   United States Patent Document. Vol. #4622324,
mouse LD50 intravenous > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4622324,
mouse LD70 oral 1600mg/kg (1600mg/kg)   United States Patent Document. Vol. #4622324,