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Substance Name: Ethanethiol, 2-(cyclobutylmethyl)amino-, hydrogen sulfate (ester)
RN: 27976-10-9
InChIKey: YXJLHNFODZRWOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H15-N-O3-S2

Molecular Weight

  • 225.331
 
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Names and Synonyms

Synonyms

  • 2-(Cyclobutylethyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2837468

Systematic Name

  • Ethanethiol, 2-(cyclobutylmethyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 27976-10-9

System Generated Number

  • 0027976109

Structure Descriptors

InChI

1S/C7H15NO3S2/c9-13(10,11)12-5-4-8-6-7-2-1-3-7/h7-8H,1-6H2,(H,9,10,11)

InChIKey

YXJLHNFODZRWOV-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCC1CCC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.