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Substance Name: Spiro(11H-dibenz(b,e)(1,4)oxathiepin-11,4'-piperidine), (Z)-2-butenedioate (1:1)
RN: 98796-34-0
InChIKey: TVDFUVLQSUJVHN-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N-O-S.C4-H4-O4

Molecular Weight

  • 399.4649
 
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Names and Synonyms

Synonym

  • Spiro(piperidine-4,6'-dibenz(b,e)-1,4-oxathiepin) hydrogen maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 98796-34-0

System Generated Number

  • 0098796340

Molecular Formulas

Molecular Formula

  • C17-H17-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H17-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17NOS.C4H4O4/c1-3-7-15-13(5-1)17(9-11-18-12-10-17)19-14-6-2-4-8-16(14)20-15;5-3(6)1-2-4(7)8/h1-8,18H,9-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

TVDFUVLQSUJVHN-BTJKTKAUSA-N

Smiles

c1ccc2c(c1)C3(CCNCC3)Oc4ccccc4S2.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 96mg/kg (96mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 503, 1985.