Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Propanesulfinic acid, 2-methyl-3-oxo-3-((2-phenylethyl)amino)-, compd. with benzeneethanamine (1:1)
RN: 171359-16-3
InChIKey: WNEMAYRCALRIJI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O3-S.C8-H11-N

Molecular Weight

  • 376.5182
 
* 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

Synonyms

  • 2-Phenylethylammonium salt of the 2-phenylethylamide of beta-sulfinoisobutyric acid
  • Benzeneethanamine, 2-methyl-3-oxo-3-((2-phenylethyl)amino)-1-propanesulfinate

Systematic Name

  • 1-Propanesulfinic acid, 2-methyl-3-oxo-3-((2-phenylethyl)amino)-, compd. with benzeneethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 171359-16-3

System Generated Number

  • 0171359163

Molecular Formulas

Molecular Formula

  • C12-H17-N-O3-S.C8-H11-N

Molecular Formula Fragments

  • C12-H17-N-O3-S
  • C8-H11-N
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17NO3S.C8H11N/c1-10(9-17(15)16)12(14)13-8-7-11-5-3-2-4-6-11;9-7-6-8-4-2-1-3-5-8/h2-6,10H,7-9H2,1H3,(H,13,14)(H,15,16);1-5H,6-7,9H2

InChIKey

WNEMAYRCALRIJI-UHFFFAOYSA-N

Smiles

CC(CS(=O)O)C(=O)NCCc1ccccc1.c1ccc(cc1)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 47, 1994.