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Substance Name: Benzenemethanamine, N,N-dimethyl-2-(phenylthio)-, (Z)-2-butenedioate (1:1)
RN: 127876-73-7
InChIKey: LAGKXNVRMBOEKI-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N-S.C4-H4-O4

Molecular Weight

  • 359.4439
 
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Names and Synonyms

Synonyms

  • N,N-Dimethyl-2-(phenylthio)benzenemethanamine (Z)-2-butenedioate (1:1)
  • N,N-Dimethyl-2-(phenylthio)benzylamine maleate
  • VUFB-15370

Systematic Name

  • Benzenemethanamine, N,N-dimethyl-2-(phenylthio)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 127876-73-7

System Generated Number

  • 0127876737

Molecular Formulas

Molecular Formula

  • C15-H17-N-S.C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C15H17NS.C4H4O4/c1-16(2)12-13-8-6-7-11-15(13)17-14-9-4-3-5-10-14;5-3(6)1-2-4(7)8/h3-11H,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LAGKXNVRMBOEKI-WLHGVMLRSA-N

Smiles

CN(C)Cc1ccccc1Sc2ccccc2.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 74mg/kg (74mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.
mouse LD50 oral 312mg/kg (312mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.