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Substance Name: 1-Propanamine, 3-(2-chloro-6-methoxy-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (E)-, sulfate, hydrate (2:2:1)
RN: 77602-64-3
InChIKey: GRIFEICCZHQXIA-GBDQXREISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-Cl-N-O-S.H2-O4-S.1/2H2-O

Molecular Weight

  • 443.9698
 
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Names and Synonyms

Synonyms

  • (E)-2-Chloro-6-methoxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen sulfate hemihydrate
  • VUFB-10675

Systematic Name

  • 1-Propanamine, 3-(2-chloro-6-methoxy-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (E)-, sulfate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 77602-64-3

System Generated Number

  • 0077602643

Molecular Formulas

Molecular Formula

  • C19-H20-Cl-N-O-S.H2-O4-S.1/2H2-O

Molecular Formula Fragments

  • C19-H20-Cl-N-O-S
  • COMPONENT
  • H2-O
  • H2-O4-S

Structure Descriptors

InChI

1S/C19H20ClNOS.H2O4S/c1-21(2)10-4-5-15-16-8-7-14(22-3)12-19(16)23-18-9-6-13(20)11-17(15)18;1-5(2,3)4/h5-9,11-12H,4,10H2,1-3H3;(H2,1,2,3,4)/b15-5+;

InChIKey

GRIFEICCZHQXIA-GBDQXREISA-N

Smiles

CN(C)CC/C=C/1\c2ccc(cc2Sc3c1cc(cc3)Cl)OC.OS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 524mg/kg (524mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 3166, 1980.