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Substance Name: Propanethiol, 2-((3-aminopropyl)amino)-2-methyl-, hydrogen sulfate (ester), hydrochloride
RN: 23545-60-0
InChIKey: YZKJTIRCAZBIGM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H18-N2-O3-S2.Cl-H

Molecular Weight

  • 278.823
 
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Names and Synonyms

Synonym

  • S-(2-((3-Aminopropyl)amino)-2-methyl) hydrogen thiosulfate hydrochloride

Systematic Name

  • Propanethiol, 2-((3-aminopropyl)amino)-2-methyl-, hydrogen sulfate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 23545-60-0

System Generated Number

  • 0023545600

Molecular Formulas

Molecular Formula

  • C7-H18-N2-O3-S2.Cl-H

Molecular Formula Fragments

  • C7-H18-N2-O3-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C7H18N2O3S2.ClH/c1-7(2,9-5-3-4-8)6-13-14(10,11)12;/h9H,3-6,8H2,1-2H3,(H,10,11,12);1H

InChIKey

YZKJTIRCAZBIGM-UHFFFAOYSA-N

Smiles

S(SCC(NCCCN)(C)C)(=O)(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1300mg/kg (1300mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.