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Substance Name: Spiro(11H-dibenz(b,e)(1,4)oxathiepin-11,4'-piperidine), 1'-methyl-, (Z)-2-butenedioate (1:1)
RN: 98796-35-1
InChIKey: WNZDHTMTSGCZCJ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N-O-S.C4-H4-O4

Molecular Weight

  • 413.4917
 
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Names and Synonyms

Synonyms

  • 1'-Methylspiro(11H-dibenz(b,e)(1,4)oxathiepin-11,4'-piperidine)(Z)-2-butenedioate (1:1)
  • 1-Methylspiro(piperidine-4,6'-dibenz(b,e)-1,4-oxathiepin) hydrogen maleate

Systematic Name

  • Spiro(11H-dibenz(b,e)(1,4)oxathiepin-11,4'-piperidine), 1'-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 98796-35-1

System Generated Number

  • 0098796351

Molecular Formulas

Molecular Formula

  • C18-H19-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H19-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19NOS.C4H4O4/c1-19-12-10-18(11-13-19)14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20-18;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

WNZDHTMTSGCZCJ-BTJKTKAUSA-N

Smiles

CN1CCC2(CC1)c3ccccc3Sc4ccccc4O2.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 183mg/kg (183mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 503, 1985.