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Substance Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(phenylthio)propyl)-1-piperazinyl)-, 5-nitrate, dihydrochloride
RN: 134185-17-4
InChIKey: DZPLIUNRDVGDRM-IUDKQXNJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N3-O5-S.2Cl-H

Molecular Weight

  • 482.4261
 
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Names and Synonyms

Synonym

  • 5-Deoxy-5-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate HCl

Systematic Name

  • L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(phenylthio)propyl)-1-piperazinyl)-, 5-nitrate, dihydrochloride

Registry Numbers

CAS Registry Number

  • 134185-17-4

System Generated Number

  • 0134185174

Molecular Formulas

Molecular Formula

  • C19-H27-N3-O5-S.2Cl-H

Molecular Formula Fragments

  • C19-H27-N3-O5-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H27N3O5S.2ClH/c23-22(24)27-17-14-26-18-16(13-25-19(17)18)21-10-8-20(9-11-21)7-4-12-28-15-5-2-1-3-6-15;;/h1-3,5-6,16-19H,4,7-14H2;2*1H/t16-,17-,18+,19+;;/m0../s1

InChIKey

DZPLIUNRDVGDRM-IUDKQXNJSA-N

Smiles

c1ccc(cc1)SCCCN2CCN(CC2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-].Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5053408,
mouse LD oral > 150mg/kg (150mg/kg)   United States Patent Document. Vol. #5053408,