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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrobenzo(b,f)thiepin-10-yl)-4-(1-oxodecyl)-, (Z)-2-butenedioate (1:1)
RN: 63186-69-6
InChIKey: YOZWJEYDCAEJSO-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H37-Cl-N2-O-S.C4-H4-O4

Molecular Weight

  • 601.2039
 
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Names and Synonyms

Synonym

  • VUFB-10,110

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydrobenzo(b,f)thiepin-10-yl)-4-(1-oxodecyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 63186-69-6

System Generated Number

  • 0063186696

Molecular Formulas

Molecular Formula

  • C28-H37-Cl-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C28-H37-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H37ClN2OS.C4H4O4/c1-2-3-4-5-6-7-8-13-28(32)31-18-16-30(17-19-31)25-20-22-11-9-10-12-26(22)33-27-15-14-23(29)21-24(25)27;5-3(6)1-2-4(7)8/h9-12,14-15,21,25H,2-8,13,16-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YOZWJEYDCAEJSO-WLHGVMLRSA-N

Smiles

CCCCCCCCCC(=O)N1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 3437, 1976.