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Substance Name: Acetic acid, phenyl-, 2-(4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)ethyl ester, maleate (1:1)
RN: 108263-52-1
InChIKey: KBIIKOVUPFCIMC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-Cl-N2-O2-S.C4-H4-O4

Molecular Weight

  • 609.1397
 
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Names and Synonyms

Synonyms

  • 2-Chloro-10-(4-(4-phenylacetoxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
  • Docloxythepin phenylacetate maleate

Systematic Name

  • Acetic acid, phenyl-, 2-(4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)ethyl ester, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 108263-52-1

System Generated Number

  • 0108263521

Molecular Formulas

Molecular Formula

  • C28-H29-Cl-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C28-H29-Cl-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H29ClN2O2S.C4H4O4/c29-23-10-11-26-22(19-23)20-25(24-8-4-5-9-27(24)34-26)31-14-12-30(13-15-31)16-17-33-28(32)18-21-6-2-1-3-7-21;5-3(6)1-2-4(7)8/h1-11,19,25H,12-18,20H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KBIIKOVUPFCIMC-WLHGVMLRSA-N

Smiles

c1ccc(cc1)CC(=O)OCCN2CCN(CC2)C3Cc4cc(ccc4Sc5c3cccc5)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 297mg/kg (297mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 51, Pg. 1503, 1986.