Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethanethiol, 2-((1,1-dimethyl-2-hydroxy-2-(3,4-methoxyphenyl))ethyl)amino-, hydrogen sulfate (ester)
RN: 21221-00-1
InChIKey: WAFNODZSIDRWBR-ZDUSSCGKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N-O6-S2

Molecular Weight

  • 365.4687
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • BRN 3071746

Systematic Name

  • Ethanethiol, 2-((1,1-dimethyl-2-hydroxy-2-(3,4-methoxyphenyl))ethyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21221-00-1

System Generated Number

  • 0021221001

Structure Descriptors

InChI

1S/C14H23NO6S2/c1-14(2,15-7-8-21-23(17,18)22)13(16)10-5-6-11(19-3)12(9-10)20-4/h5-6,9,13,15-16H,7-8H2,1-4H3,(H,17,18,22)/t13-/m0/s1

InChIKey

WAFNODZSIDRWBR-ZDUSSCGKSA-N

Smiles

COc1ccc(cc1OC)[C@H](O)C(C)(C)NCCOS(=O)(=S)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.