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Substance Name: 1-Propanamine, N,N-dimethyl-3-(1,2,4-trichloro-9H-thioxanthen-9-ylidene)-, (E)-, methanesulfonate, hydrate
RN: 94923-54-3
InChIKey: ACZHICDNMQELCQ-CURPJKDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-Cl3-N-S.C-H4-O3-S.H2-O

Molecular Weight

  • 498.8768
 
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Names and Synonyms

Synonym

  • (E)-1,2,4-Trichloro-9-(3-dimethylaminopropylidene)thioxanthene methanesulfonate monohydrate

Systematic Name

  • 1-Propanamine, N,N-dimethyl-3-(1,2,4-trichloro-9H-thioxanthen-9-ylidene)-, (E)-, methanesulfonate, hydrate

Registry Numbers

CAS Registry Number

  • 94923-54-3

System Generated Number

  • 0094923543

Molecular Formulas

Molecular Formula

  • C18-H16-Cl3-N-S.C-H4-O3-S.H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C18-H16-Cl3-N-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H16Cl3NS.CH4O3S.H2O/c1-22(2)9-5-7-12-11-6-3-4-8-15(11)23-18-14(20)10-13(19)17(21)16(12)18;1-5(2,3)4;/h3-4,6-8,10H,5,9H2,1-2H3;1H3,(H,2,3,4);1H2/b12-7+;;

InChIKey

ACZHICDNMQELCQ-CURPJKDSSA-N

Smiles

CN(C)CC/C=C/1\c2ccccc2Sc3c1c(c(cc3Cl)Cl)Cl.CS(=O)(=O)O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg) BEHAVIORAL: EXCITEMENT Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 2295, 1984.