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Substance Name: Ethanethiol, 2-cycloheptylamino-, hydrogen sulfate (ester)
RN: 27976-12-1
InChIKey: IIUOQVUAQZTVHA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H19-N-O3-S2

Molecular Weight

  • 253.385
 
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Names and Synonyms

Synonyms

  • 2-Cycloheptylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2841911

Systematic Name

  • Ethanethiol, 2-cycloheptylamino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 27976-12-1

System Generated Number

  • 0027976121

Structure Descriptors

InChI

1S/C9H19NO3S2/c11-15(12,13)14-8-7-10-9-5-3-1-2-4-6-9/h9-10H,1-8H2,(H,11,12,13)

InChIKey

IIUOQVUAQZTVHA-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNC1CCCCCC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.