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Substance Name: Pimethixene maleate
RN: 13187-06-9
UNII: U22U244M9X
InChIKey: IPANUAHQWFDVAG-BTJKTKAUSA-N

Molecular Formula

  • C19-H19-N-S.C4-H4-O4

Molecular Weight

  • 409.5037
 
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Names and Synonyms

Name of Substance

  • Pimethixene maleate

Synonyms

  • 9-(1-Methyl-4-piperidylene)thioxanthene maleate
  • 9-(N-Methyl-piperidyliden-4)thioxane maleate
  • BP-400
  • EINECS 236-141-1
  • UNII-U22U244M9X

Systematic Names

  • 1-Methyl-4-(9H-thioxanthen-9-ylidene)piperidinium hydrogen maleate
  • Thioxanthene, 9-(1-methyl-4-piperidylene)-, maleate

Registry Numbers

CAS Registry Number

  • 13187-06-9

FDA UNII

  • U22U244M9X

System Generated Number

  • 0013187069

Molecular Formulas

Molecular Formula

  • C19-H19-N-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H19-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19NS.C4H4O4/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

IPANUAHQWFDVAG-BTJKTKAUSA-N

Smiles

CN1CCC(=C2c3ccccc3Sc4c2cccc4)CC1.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 31400ug/kg (31.4mg/kg)   Annals of Allergy. Vol. 21, Pg. 233, 1963.
mouse LD50 oral 433mg/kg (433mg/kg)   Annals of Allergy. Vol. 21, Pg. 233, 1963.
rabbit LD50 intravenous 25mg/kg (25mg/kg)   Annals of Allergy. Vol. 21, Pg. 233, 1963.
rat LD50 intravenous 18mg/kg (18mg/kg)   Annals of Allergy. Vol. 21, Pg. 233, 1963.
rat LD50 oral 1186mg/kg (1186mg/kg)   Annals of Allergy. Vol. 21, Pg. 233, 1963.