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Substance Name: Thioxanthene-delta(sup 9,gamma)-propylamine, 2-((o-chlorobenzyl)oxy)-, fumarate (1:1)
RN: 31759-18-9
InChIKey: TWDCXZDDZPZFJB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H24-Cl-N-O-S.C4-H4-O4

Molecular Weight

  • 512.023
 
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Names and Synonyms

Synonyms

  • 2-((o-Chlorobenzyl)oxy)thioxanthene-delta(sup 9,gamma)-propylamine fumarate
  • 2-(2-Chlorobenzyloxy)-9-(3-dimethylaminopropylidene)thioxanthene hydrogen fumarate

Systematic Name

  • Thioxanthene-delta(sup 9,gamma)-propylamine, 2-((o-chlorobenzyl)oxy)-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 31759-18-9

System Generated Number

  • 0031759189

Molecular Formulas

Molecular Formula

  • C25-H24-Cl-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C25-H24-Cl-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H22ClNOS.C4H4O4/c24-21-9-3-1-6-16(21)15-26-17-11-12-23-20(14-17)18(8-5-13-25)19-7-2-4-10-22(19)27-23;5-3(6)1-2-4(7)8/h1-4,6-7,9-12,14,18H,5,8,13,15,25H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

TWDCXZDDZPZFJB-WLHGVMLRSA-N

Smiles

c12[C@@H](c3ccccc3Sc2ccc(OCc2c(cccc2)Cl)c1)CCCN.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 35, Pg. 2623, 1970.