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Substance Name: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, acetate (ester), (Z)-2-butenedioate (1:2)
RN: 21760-61-2
InChIKey: JLVWOBNKLALNOE-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-Cl-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 663.141
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21760-61-2

System Generated Number

  • 0021760612

Molecular Formulas

Molecular Formula

  • C23-H27-Cl-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C23-H27-Cl-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27ClN2O2S.2C4H4O4/c1-17(27)28-14-4-9-25-10-12-26(13-11-25)21-15-18-5-2-3-6-22(18)29-23-8-7-19(24)16-20(21)23;2*5-3(6)1-2-4(7)8/h2-3,5-8,16,21H,4,9-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

JLVWOBNKLALNOE-LVEZLNDCSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 86mg/kg (86mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.