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Substance Name: Benzeneethanamine, alpha-methyl-2-(phenylsulfinyl)-, (Z)-2-butenedioate (1:1)
RN: 127876-87-3
InChIKey: MTWVGMPPWFJEAH-WLHGVMLRSA-N

Molecular Formula

  • C15-H17-N-O-S.C4-H4-O4

Molecular Weight

  • 375.4429
 
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Names and Synonyms

Synonyms

  • 1-(2-(Phenylthio)phenyl)-2-propylamine S-oxide maleate
  • alpha-Methyl-2-(phenylsulfinyl)benzeneethanamine (Z)-2-butenedioate (1:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127876-87-3

System Generated Number

  • 0127876873

Molecular Formulas

Molecular Formula

  • C15-H17-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C15-H17-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H17NOS.C4H4O4/c1-12(16)11-13-7-5-6-10-15(13)18(17)14-8-3-2-4-9-14;5-3(6)1-2-4(7)8/h2-10,12H,11,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MTWVGMPPWFJEAH-WLHGVMLRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 509mg/kg (509mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.