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Substance Name: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, propanoate (ester), (Z)-2-butenedioate (1:2)
RN: 29084-27-3
InChIKey: VEXMMHVSQIPFJS-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H29-Cl-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 677.167
 
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Names and Synonyms

Synonym

  • 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol propanoate dimaleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 29084-27-3

System Generated Number

  • 0029084273

Molecular Formulas

Molecular Formula

  • C24-H29-Cl-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C24-H29-Cl-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H29ClN2O2S.2C4H4O4/c1-2-24(28)29-15-5-10-26-11-13-27(14-12-26)21-16-18-6-3-4-7-22(18)30-23-9-8-19(25)17-20(21)23;2*5-3(6)1-2-4(7)8/h3-4,6-9,17,21H,2,5,10-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VEXMMHVSQIPFJS-LVEZLNDCSA-N

Smiles

C(=O)(O)\C=C\C(=O)O.C(CC)(=O)OCCCN1CCN(CC1)[C@@H]1Cc2c(Sc3c1cc(cc3)Cl)cccc2.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 236mg/kg (236mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.