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Substance Name: Ethanethiol, 2-(2,11-dihydroxyundecyl)amino-, hydrogen sulfate (ester)
RN: 21220-97-3
InChIKey: SSNUGNZNFPSPGE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H29-N-O5-S2

Molecular Weight

  • 343.506
 
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Names and Synonyms

Synonyms

  • 1,10-Undecanediol, 11-((2-mercaptoethyl)amino)-, S-(hydrogen sulfate)
  • 2-(((2,11-Dihydroxy)undecyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3058800
  • S-2-(((2,11-Dihydroxy)undecyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21220-97-3

System Generated Number

  • 0021220973

Structure Descriptors

InChI

1S/C13H29NO5S2/c15-10-7-5-3-1-2-4-6-8-13(16)12-14-9-11-20-21(17,18)19/h13-16H,1-12H2,(H,17,18,19)

InChIKey

SSNUGNZNFPSPGE-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNC[C@@H](CCCCCCCCCO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.