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Substance Name: Ethanethiol, 2-heptylamino-, hydrogen sulfate (ester)
RN: 1191-49-7
InChIKey: BDADSRBGWZXOQY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H21-N-O3-S2

Molecular Weight

  • 255.401
 
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Names and Synonyms

Synonyms

  • 2-Heptylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2364929

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1191-49-7

System Generated Number

  • 0001191497

Structure Descriptors

InChI

1S/C9H21NO3S2/c1-2-3-4-5-6-7-10-8-9-14-15(11,12)13/h10H,2-9H2,1H3,(H,11,12,13)

InChIKey

BDADSRBGWZXOQY-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCCC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.