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Substance Name: Dibenzo(b,f)thiepin-4-ol, 10,11-dihydro-2-chloro-11-(4-methyl-1-piperazinyl)-, 5-oxide, (Z)-2-butenedioate (1:1)
RN: 68351-10-0
InChIKey: WILPGHCHMQUUHP-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N2-O2-S.C4-H4-O4

Molecular Weight

  • 492.978
 
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Names and Synonyms

Synonyms

  • 10,11-Dihydro-2-chloro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-4-ol 5-oxide maleate
  • 8-Chloro-6-hydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5-oxide maleate
  • VUFB-10648

Systematic Name

  • Dibenzo(b,f)thiepin-4-ol, 10,11-dihydro-2-chloro-11-(4-methyl-1-piperazinyl)-, 5-oxide, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 68351-10-0

System Generated Number

  • 0068351100

Molecular Formulas

Molecular Formula

  • C19-H21-Cl-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H21-Cl-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21ClN2O2S.C4H4O4/c1-21-6-8-22(9-7-21)16-10-13-4-2-3-5-18(13)25(24)19-15(16)11-14(20)12-17(19)23;5-3(6)1-2-4(7)8/h2-5,11-12,16,23H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

WILPGHCHMQUUHP-WLHGVMLRSA-N

Smiles

c12[C@@H]([NH+]3CCN(C)CC3)Cc3c(cccc3)[S@@](=O)c1c(cc(Cl)c2)O.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7500ug/kg (7.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 1747, 1978.