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Substance Name: Ethanethiol, 2-cyclododecylamino-, hydrogen sulfate (ester)
RN: 37018-33-0
InChIKey: ZGSIHLYVXVPDJK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H29-N-O3-S2

Molecular Weight

  • 323.519
 
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Names and Synonyms

Synonyms

  • 2-Cyclododecylaminoethanethiol hydrogen sulfate (ester)
  • BRN 2859692

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 37018-33-0

System Generated Number

  • 0037018330

Structure Descriptors

InChI

1S/C14H29NO3S2/c16-20(17,18)19-13-12-15-14-10-8-6-4-2-1-3-5-7-9-11-14/h14-15H,1-13H2,(H,16,17,18)

InChIKey

ZGSIHLYVXVPDJK-UHFFFAOYSA-N

Smiles

C1CCCCC(CCCCCC1)NCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 595, 1972.