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Substance Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(6-(ethylamino)-9H-purin-9-yl)-, 5-nitrate, mononitrate
RN: 81621-20-7
InChIKey: RSNCECHZELQYHG-KVRGAVRUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N6-O5.H-N-O3

Molecular Weight

  • 399.3183
 
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Names and Synonyms

Synonyms

  • 1,4:3,6-Dianhydro-2-deoxy-2-(6-(ethylamino)-9H-purin-9-yl)-L-iditol 5-nitrate mononitrate
  • 5-(6-Ethylaminopurin-9-yl)-5-desoxy-1.4;3.6-dianhydro-L-iditol 2-nitrate hydrogen nitrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81621-20-7

System Generated Number

  • 0081621207

Molecular Formulas

Molecular Formula

  • C13-H16-N6-O5.H-N-O3

Molecular Formula Fragments

  • C13-H16-N6-O5
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C13H16N6O5.HNO3/c1-2-14-12-9-13(16-5-15-12)18(6-17-9)7-3-22-11-8(24-19(20)21)4-23-10(7)11;2-1(3)4/h5-8,10-11H,2-4H2,1H3,(H,14,15,16);(H,2,3,4)/t7-,8-,10+,11+;/m0./s1

InChIKey

RSNCECHZELQYHG-KVRGAVRUSA-N

Smiles

CCNc1c2c(ncn1)n(cn2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-].N(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 50mg/kg (50mg/kg)   United States Patent Document. Vol. #4622324,