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Substance Name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(methylamino)methyl-, maleate
RN: 52740-47-3
InChIKey: XDTLDKQRTDJPRA-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N-O3.C4-H4-O4

Molecular Weight

  • 413.424
 
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Names and Synonyms

  • Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(methylamino)methyl-, maleate

Registry Numbers

CAS Registry Number

  • 52740-47-3

System Generated Number

  • 0052740473

Molecular Formulas

Molecular Formula

  • C18-H19-N-O3.C4-H4-O4

Molecular Formula Fragments

  • C18-H19-N-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19NO3.C4H4O4/c1-19-10-14-12-21-18(22-14)15-7-3-2-6-13(15)11-20-17-9-5-4-8-16(17)18;5-3(6)1-2-4(7)8/h2-9,14,19H,10-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

XDTLDKQRTDJPRA-BTJKTKAUSA-N

Smiles

C(=O)(O)\C=C/C(=O)O.CNC[C@@H]1O[C@@]2(OC1)c1c(COc3c2cccc3)cccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 450mg/kg (450mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 286, 1974.