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Substance Name: 1-Piperazinebutanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
RN: 30319-66-5
InChIKey: VHHYIKYUUHPCQI-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 635.13
 
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Names and Synonyms

Synonyms

  • 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinebutanol dimaleate
  • 8-Chloro-10-(4-(4-hydroxybutyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 30319-66-5

System Generated Number

  • 0030319665

Molecular Formulas

Molecular Formula

  • C22-H27-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C22H27ClN2OS.2C4H4O4/c23-18-7-8-22-19(16-18)20(15-17-5-1-2-6-21(17)27-22)25-12-10-24(11-13-25)9-3-4-14-26;2*5-3(6)1-2-4(7)8/h1-2,5-8,16,20,26H,3-4,9-15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VHHYIKYUUHPCQI-LVEZLNDCSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 78800ug/kg (78.8mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.