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Substance Name: Benzonitrile, 3-((2-((dimethylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1)
RN: 139009-47-5
InChIKey: LVERMXABLKLXES-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N2-S.C4-H4-O4

Molecular Weight

  • 384.454
 
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Names and Synonyms

Synonyms

  • 3-((2-((Dimethylamino)methyl)phenyl)thio)benzonitrile (Z)-2-butenedioate (1:1)
  • 3-(2-(Dimethylaminomethyl)phenylthio)benzonitrile hydrogen maleate
  • VUFB 17699

Systematic Name

  • Benzonitrile, 3-((2-((dimethylamino)methyl)phenyl)thio)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 139009-47-5

System Generated Number

  • 0139009475

Molecular Formulas

Molecular Formula

  • C16-H16-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C16-H16-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H16N2S.C4H4O4/c1-18(2)12-14-7-3-4-9-16(14)19-15-8-5-6-13(10-15)11-17;5-3(6)1-2-4(7)8/h3-10H,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LVERMXABLKLXES-WLHGVMLRSA-N

Smiles

CN(C)Cc1ccccc1Sc2cccc(c2)C#N.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 500mg/kg (500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 56, Pg. 2468, 1991.