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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
RN: 69231-67-0
InChIKey: ORFPYDCNKROJJP-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N2-O-S.C4-H4-O4

Molecular Weight

  • 476.9785
 
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Names and Synonyms

Synonyms

  • 8-Chloro-3-methoxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin maleate
  • VUFB-10688

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 69231-67-0

System Generated Number

  • 0069231670

Molecular Formulas

Molecular Formula

  • C19-H21-Cl-N2-O-S.C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C19H21ClN2OS.C4H4O4/c1-23-15-4-2-13-10-17(22-8-6-21-7-9-22)16-11-14(20)3-5-18(16)24-19(13)12-15;5-3(6)1-2-4(7)8/h2-5,11-12,17,21H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ORFPYDCNKROJJP-WLHGVMLRSA-N

Smiles

COc1ccc2c(c1)Sc3ccc(cc3C(C2)N4CCNCC4)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 33mg/kg (33mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 3092, 1978.