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Substance Name: 9H-Thioxanthen-2-ol, 7-chloro-9-(3-(dimethylamino)propylidene)-, (E)-, (Z)-2-butenedioate (1:1) (salt)
RN: 77602-77-8
InChIKey: RGDNFMIFGYFUMC-SVMGCAKCSA-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

  • (E)-2-Chloro-7-hydroxy-9-(3-dimethylaminopropylidene)thioxanthene maleate
  • (E)-7-Chloro-9-(3-(dimethylamino)propylidene)-9H-thioxanthen-2-ol maleate
  • VUFB-12365

Systematic Name

  • 9H-Thioxanthen-2-ol, 7-chloro-9-(3-(dimethylamino)propylidene)-, (E)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 77602-77-8

System Generated Number

  • 0077602778

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)9-3-4-14-15-10-12(19)5-7-17(15)22-18-8-6-13(21)11-16(14)18;5-3(6)1-2-4(7)8/h4-8,10-11,21H,3,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b14-4-;2-1-

InChIKey

RGDNFMIFGYFUMC-SVMGCAKCSA-N

Smiles

CN(C)CC/C=C/1\c2cc(ccc2Sc3c1cc(cc3)Cl)O.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 675mg/kg (675mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 3166, 1980.