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Substance Name: Dibenzo(b,f)thiepin-2-methanol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, acetate (ester), (Z)-2-butenedioate (1:2)
RN: 55301-86-5
InChIKey: GHBUWFSWIDVOHB-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 614.669
 
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Names and Synonyms

Synonyms

  • 10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-methanol acetate dimaleate
  • 8-Acetoxymethyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin di(hydrogen maleate)

Systematic Name

  • Dibenzo(b,f)thiepin-2-methanol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, acetate (ester), (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 55301-86-5

System Generated Number

  • 0055301865

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C22-H26-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2O2S.2C4H4O4/c1-16(25)26-15-17-7-8-22-19(13-17)20(24-11-9-23(2)10-12-24)14-18-5-3-4-6-21(18)27-22;2*5-3(6)1-2-4(7)8/h3-8,13,20H,9-12,14-15H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

GHBUWFSWIDVOHB-SPIKMXEPSA-N

Smiles

N1(CCN(C)CC1)[C@@H]1Cc2c(cccc2)Sc2ccc(cc12)COC(=O)C.C(\C=C/C(=O)O)(O)=O.C(\C=C/C(=O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 69mg/kg (69mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 2099, 1974.