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Substance Name: 1-Piperazinepropanol, 4-(8-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
RN: 41931-76-4
InChIKey: MCIFGSXQQUUYCY-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O2-S.C4-H4-O4

Molecular Weight

  • 498.597
 
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Names and Synonyms

Synonyms

  • 4-(8-Methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol maleate
  • 8-Methoxy-10-(4-(3-hydroxypropyl)piperazino)dibenzo(b,f)thiepin maleate

Systematic Name

  • 1-Piperazinepropanol, 4-(8-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 41931-76-4

System Generated Number

  • 0041931764

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C22-H26-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2O2S.C4H4O4/c1-26-18-7-8-22-19(16-18)20(15-17-5-2-3-6-21(17)27-22)24-12-10-23(11-13-24)9-4-14-25;5-3(6)1-2-4(7)8/h2-3,5-8,15-16,25H,4,9-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

MCIFGSXQQUUYCY-WLHGVMLRSA-N

Smiles

COc1ccc2c(c1)C(=Cc3ccccc3S2)N4CCN(CC4)CCCO.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 117mg/kg (117mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 1190, 1973.