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Substance Name: 1-Piperazineethanol, 4-(7-chloro-10,11-dihydro-8-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
RN: 60810-90-4
InChIKey: KIXWPOULAIBZPV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-Cl-F-N2-O-S.C4-H4-O4

Molecular Weight

  • 508.9954
 
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Names and Synonyms

Synonym

  • 4-(7-Chloro-10,11-dihydro-8-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate

Systematic Name

  • 1-Piperazineethanol, 4-(7-chloro-10,11-dihydro-8-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 60810-90-4

System Generated Number

  • 0060810904

Molecular Formulas

Molecular Formula

  • C20-H22-Cl-F-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C20-H22-Cl-F-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H22ClFN2OS.C4H4O4/c21-16-13-20-15(12-17(16)22)18(11-14-3-1-2-4-19(14)26-20)24-7-5-23(6-8-24)9-10-25;5-3(6)1-2-4(7)8/h1-4,12-13,18,25H,5-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KIXWPOULAIBZPV-WLHGVMLRSA-N

Smiles

c1ccc2c(c1)CC(c3cc(c(cc3S2)Cl)F)N4CCN(CC4)CCO.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 842mg/kg (842mg/kg) PERIPHERAL NERVE AND SENSATION: PARESTHESIS

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 881, 1976.