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Substance Name: Ethanethiol, 2-((2-phenylcyclopropyl)methylamino)-, hydrogen sulfate (ester) (E)-
RN: 78128-72-0
InChIKey: OIZXEQZVPGEQNG-RYUDHWBXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O3-S2

Molecular Weight

  • 287.4023
 
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Names and Synonyms

Synonyms

  • S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfate
  • trans-2-((2-Phenylcyclopropyl)methylamino)ethanethiol hydrogen sulfate (ester)

Systematic Name

  • Ethanethiol, 2-((2-phenylcyclopropyl)methylamino)-, hydrogen sulfate (ester) (E)-

Registry Numbers

CAS Registry Number

  • 78128-72-0

System Generated Number

  • 0078128720

Structure Descriptors

InChI

1S/C12H17NO3S2/c14-18(15,16)17-7-6-13-9-11-8-12(11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,14,15,16)/t11-,12-/m0/s1

InChIKey

OIZXEQZVPGEQNG-RYUDHWBXSA-N

Smiles

c1ccc(cc1)[C@@H]2C[C@H]2CNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.