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Substance Name: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-, (Z)-2-butenedioate (1:1)
RN: 35780-44-0
InChIKey: DELIPYFPVDWNIM-ZPYUXNTASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-N2-O-S.C4-H4-O4

Molecular Weight

  • 519.059
 
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Names and Synonyms

Synonyms

  • 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-1-piperazinepropanol maleate
  • 8-Chloro-10-(4-(3-hydroxybutyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Systematic Name

  • 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 35780-44-0

System Generated Number

  • 0035780440

Molecular Formulas

Molecular Formula

  • C22-H27-Cl-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C22-H27-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25ClN2OS.C5H6O4/c22-17-6-7-21-18(15-17)19(14-16-4-1-2-5-20(16)26-21)24-11-9-23(10-12-24)8-3-13-25;1-3(5(8)9)2-4(6)7/h1-2,4-7,15,19,25H,3,8-14H2;2H,1H3,(H,6,7)(H,8,9)/b;3-2+

InChIKey

DELIPYFPVDWNIM-ZPYUXNTASA-N

Smiles

C(\C(=C\C(=O)O)C)(=O)O.N1(CCN(CC1)[C@@H]1Cc2c(Sc3c1cc(cc3)Cl)cccc2)CCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 76mg/kg (76mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.