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Substance Name: 1-Piperazinebutanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-, (Z)-2-butenedioate (1:2)
RN: 86499-16-3
InChIKey: ZCFMSSQADJAUDD-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 649.1573
 
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Names and Synonyms

Synonym

  • 2-Chloro-11-(4-(4-hydroxypentyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86499-16-3

System Generated Number

  • 0086499163

Molecular Formulas

Molecular Formula

  • C23-H29-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C23-H29-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29ClN2OS.2C4H4O4/c1-17-5-4-6-22-19(17)16-21(20-15-18(24)7-8-23(20)28-22)26-12-10-25(11-13-26)9-2-3-14-27;2*5-3(6)1-2-4(7)8/h4-8,15,21,27H,2-3,9-14,16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

ZCFMSSQADJAUDD-LVEZLNDCSA-N

Smiles

Cc1c2c(ccc1)Sc3c(cc(cc3)Cl)C(C2)N4CCN(CC4)CCCCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 269mg/kg (269mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 906, 1983.