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Substance Name: Phenol, 3-((2-((dimethylamino)methyl)-5-fluorophenyl)thio)-, (Z)-2-butenedioate (1:1) (salt)
RN: 134987-54-5
InChIKey: LZRQCVZWGZCWTG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-F-N-O-S.C4-H4-O4

Molecular Weight

  • 393.433
 
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Names and Synonyms

Synonyms

  • 3-((2-((Dimethylamino)methyl)-5-fluorophenyl)thio)phenol (Z)-2-butenedioate (1:1) (salt)
  • N,N-Dimethyl-4-fluoro-2-(3-hydroxyphenylthio)benzylamine maleate

Systematic Name

  • Phenol, 3-((2-((dimethylamino)methyl)-5-fluorophenyl)thio)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 134987-54-5

System Generated Number

  • 0134987545

Molecular Formulas

Molecular Formula

  • C15-H16-F-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C15-H16-F-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H16FNOS.C4H4O4/c1-17(2)10-11-6-7-12(16)8-15(11)19-14-5-3-4-13(18)9-14;5-3(6)1-2-4(7)8/h3-9,18H,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LZRQCVZWGZCWTG-WLHGVMLRSA-N

Smiles

CN(C)Cc1ccc(cc1Sc2cccc(c2)O)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 709mg/kg (709mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 56, Pg. 459, 1991.