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Substance Name: 2-Butanesulfinic acid, 4-oxo-4-((2-phenylethyl)amino)-, compd. with benzeneethanamine (1:1)
RN: 171359-14-1
InChIKey: BFXVFPMZGQDOQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O3-S.C8-H11-N

Molecular Weight

  • 376.5182
 
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Names and Synonyms

Synonyms

  • 2-Phenylethylammonium salt of the 2-phenylethylamide of beta-sulfinobutyric acid
  • 4-Oxo-4-((2-phenylethyl)amino)-2-butanesulfinic acid compd. with benzeneethanamine (1:1)
  • Benzeneethanamine, 4-oxo-4-((2-phenylethyl)amino)-2-butanesulfinate

Systematic Name

  • 2-Butanesulfinic acid, 4-oxo-4-((2-phenylethyl)amino)-, compd. with benzeneethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 171359-14-1

System Generated Number

  • 0171359141

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(17(15)16)9-12(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

BFXVFPMZGQDOQW-UHFFFAOYSA-N

Smiles

CC(CC(=O)NCCc1ccccc1)S(=O)O.c1ccc(cc1)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 310mg/kg (310mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 47, 1994.