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Substance Name: 1-Propanone, 1-(7-chloro-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthen-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)
RN: 66949-64-2
InChIKey: VXTMIRSDLRLYQK-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-Cl-N2-O-S.2C4-H4-O4.1/2H2-O

Molecular Weight

  • 633.1147
 
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Names and Synonyms

Synonyms

  • 2-Chloro-9-(4-methylpiperazinomethyl)-7-propionylthioxanthene bis(hydrogen maleate) 1/2H2O
  • VUFB-9477

Systematic Name

  • 1-Propanone, 1-(7-chloro-9-((4-methyl-1-piperazinyl)methyl)-9H-thioxanthen-2-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 66949-64-2

System Generated Number

  • 0066949642

Molecular Formulas

Molecular Formula

  • C22-H25-Cl-N2-O-S.2C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C22-H25-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H25ClN2OS.2C4H4O4/c1-3-20(26)15-4-6-21-17(12-15)19(14-25-10-8-24(2)9-11-25)18-13-16(23)5-7-22(18)27-21;2*5-3(6)1-2-4(7)8/h4-7,12-13,19H,3,8-11,14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VXTMIRSDLRLYQK-LVEZLNDCSA-N

Smiles

CCC(=O)c1cc2c(cc1)Sc3c(cc(cc3)Cl)C2CN4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 471, 1978.