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Substance Name: Ethanethiol, 2-((3-cyclohexylaminopropyl)amino)-, hydrogen sulfate (ester), hemihydrate
RN: 23563-79-3
InChIKey: GGYXQYWDJYTFIC-UHFFFAOYSA-N

Molecular Formula

  • C11-H24-N2-O3-S2.1/2H2-O

Molecular Weight

  • 608.95
 
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Names and Synonyms

Synonyms

  • S-2-((3-Cyclohexylaminopropyl)amino)ethyl hydrogen thiosulfate hemihydrate
  • Thiosulfuric acid, S-(2-((3-cyclohexylaminopropyl)amino)ethyl) ester, hemihydrate

Systematic Name

  • Ethanethiol, 2-((3-cyclohexylaminopropyl)amino)-, hydrogen sulfate (ester), hemihydrate

Registry Numbers

CAS Registry Number

  • 23563-79-3

System Generated Number

  • 0023563793

Molecular Formulas

Molecular Formula

  • C11-H24-N2-O3-S2.1/2H2-O

Molecular Formula Fragments

  • C11-H24-N2-O3-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C11H24N2O3S2.CH4/c2*14-18(15,16)17-10-9-12-7-4-8-13-11-5-2-1-3-6-11;/h2*11-13H,1-10H2,(H,14,15,16);1H4

InChIKey

GGYXQYWDJYTFIC-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCNC1CCCCC1)O.S(=O)(=O)(SCCNCCCNC1CCCCC1)O.C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 244, 1969.