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Substance Name: Ethanethiol, 2-(11-phenylundecyl)amino-, hydrogen sulfate (ester)
RN: 27976-24-5
InChIKey: PVVOWFXFXMECMS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H33-N-O3-S2

Molecular Weight

  • 387.606
 
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Names and Synonyms

Synonyms

  • 2-(11-Phenylundecyl)aminoethanethiol hydrogen sulfate (ester)
  • BRN 2889924

Systematic Name

  • Ethanethiol, 2-(11-phenylundecyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 27976-24-5

System Generated Number

  • 0027976245

Structure Descriptors

InChI

1S/C19H33NO3S2/c21-25(22,23)24-18-17-20-16-12-7-5-3-1-2-4-6-9-13-19-14-10-8-11-15-19/h8,10-11,14-15,20H,1-7,9,12-13,16-18H2,(H,21,22,23)

InChIKey

PVVOWFXFXMECMS-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCCCCCCCc1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.