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Substance Name: Benzeneethanamine, 2-(phenylsulfinyl)-N,N,alpha-trimethyl-, (Z)-2-butenedioate (1:1)
RN: 127876-89-5
InChIKey: AVWQETRCMRFQPO-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O-S.C4-H4-O4

Molecular Weight

  • 403.4965
 
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Names and Synonyms

Synonyms

  • 2-(Phenylsulfinyl)-N,N,alpha-trimethylbenzeneethanamine (Z)-2-butenedioate (1:1)
  • N,N-Dimethyl-1-(2-(phenylthio)phenyl)-2-propylamine S-oxide maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127876-89-5

System Generated Number

  • 0127876895

Molecular Formulas

Molecular Formula

  • C17-H21-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H21-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NOS.C4H4O4/c1-14(18(2)3)13-15-9-7-8-12-17(15)20(19)16-10-5-4-6-11-16;5-3(6)1-2-4(7)8/h4-12,14H,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

AVWQETRCMRFQPO-WLHGVMLRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 239mg/kg (239mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.