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Substance Name: 9H-Thioxanthen-4-ol, 2-chloro-9-(3-(dimethylamino)propylidene)-, (Z)-, (Z)-2-butenedioate (1:1)
RN: 77602-72-3
InChIKey: LGOSCZYIELLRNJ-ASNSJZCJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-Cl-N-O-S.C4-H4-O4

Molecular Weight

  • 447.9368
 
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Names and Synonyms

Synonyms

  • (Z)-2-Chloro-4-hydroxy-9-(3-dimethylaminopropylidene)thioxanthene hydrogen maleate
  • (Z)-2-Chloro-9-(3-(dimethylamino)propylidene)-9H-thioxanthen-4-ol maleate
  • VUFB-13725

Systematic Name

  • 9H-Thioxanthen-4-ol, 2-chloro-9-(3-(dimethylamino)propylidene)-, (Z)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 77602-72-3

System Generated Number

  • 0077602723

Molecular Formulas

Molecular Formula

  • C18-H18-Cl-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H18-Cl-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H18ClNOS.C4H4O4/c1-20(2)9-5-7-13-14-6-3-4-8-17(14)22-18-15(13)10-12(19)11-16(18)21;5-3(6)1-2-4(7)8/h3-4,6-8,10-11,21H,5,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b13-7-;2-1-

InChIKey

LGOSCZYIELLRNJ-ASNSJZCJSA-N

Smiles

CN(C)CC/C=C\1/c2ccccc2Sc3c1cc(cc3O)Cl.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 337mg/kg (337mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 3166, 1980.