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Substance Name: 1-Piperazinepropanol, 4-(8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
RN: 61015-82-5
InChIKey: HUSSJEBOTMCTCR-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O-S2.C4-H4-O4

Molecular Weight

  • 514.664
 
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Names and Synonyms

Synonyms

  • 10-(4-(3-Hydroxypropyl)piperazino)-8-(methylthio)dibenzo(b,f)thiepin maleate
  • 4-(8-(Methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol maleate
  • VUFB12,254

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61015-82-5

System Generated Number

  • 0061015825

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O-S2.C4-H4-O4

Molecular Formula Fragments

  • C22-H26-N2-O-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2OS2.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

HUSSJEBOTMCTCR-WLHGVMLRSA-N

Smiles

CSc1ccc2c(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 323mg/kg (323mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 443, 1976.