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Substance Name: Benzeneethanamine, N,alpha-dimethyl-2-(phenylsulfinyl)-, (Z)-2-butenedioate (1:1)
RN: 127876-88-4
InChIKey: QADINNUACSXZCM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-O-S.C4-H4-O4

Molecular Weight

  • 389.4697
 
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Names and Synonyms

Synonyms

  • N,alpha-Dimethyl-2-(phenylsulfinyl)benzeneethanamine (Z)-2-butenedioate (1:1)
  • N-Methyl-1-(2-(phenylthio)phenyl)-2-propylamine S-oxide maleate

Systematic Name

  • Benzeneethanamine, N,alpha-dimethyl-2-(phenylsulfinyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 127876-88-4

System Generated Number

  • 0127876884

Molecular Formulas

Molecular Formula

  • C16-H19-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C16-H19-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19NOS.C4H4O4/c1-13(17-2)12-14-8-6-7-11-16(14)19(18)15-9-4-3-5-10-15;5-3(6)1-2-4(7)8/h3-11,13,17H,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

QADINNUACSXZCM-WLHGVMLRSA-N

Smiles

CC(Cc1ccccc1S(=O)c2ccccc2)NC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 537mg/kg (537mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.