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Substance Name: Ethanethiol, 2-((4-(1-cyclohexenyl)butyl)amino)-, hydrogen sulfate
RN: 102489-81-6
InChIKey: WJKJBXORVORDIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H20-N-O3-S2

Molecular Weight

  • 311.4645
 
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Names and Synonyms

Synonym

  • Thiosulfuric acid, S-2-(1-cyclohexenylbutylamino)ethyl ester

Systematic Name

  • Ethanethiol, 2-((4-(1-cyclohexenyl)butyl)amino)-, hydrogen sulfate

Registry Numbers

CAS Registry Number

  • 102489-81-6

System Generated Number

  • 0102489816

Structure Descriptors

InChI

1S/C12H23NS.H2O4S/c14-11-10-13-9-5-4-8-12-6-2-1-3-7-12;1-5(2,3)4/h6,13-14H,1-5,7-11H2;(H2,1,2,3,4)

InChIKey

WJKJBXORVORDIU-UHFFFAOYSA-N

Smiles

C1CCC(=CC1)CCCCNCCS.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Farmakologiya i Toksikologiya Vol. 38, Pg. 620, 1975.