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Substance Name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(butylamino)methyl-, maleate
RN: 52740-45-1
InChIKey: QAGGLICGAXHMIZ-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O3.C4-H4-O4

Molecular Weight

  • 455.504
 
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Names and Synonyms

Synonym

  • 6,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 52740-45-1

System Generated Number

  • 0052740451

Molecular Formulas

Molecular Formula

  • C21-H25-N-O3.C4-H4-O4

Molecular Formula Fragments

  • C21-H25-N-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NO3.C4H4O4/c1-2-3-12-22-13-17-15-24-21(25-17)18-9-5-4-8-16(18)14-23-20-11-7-6-10-19(20)21;5-3(6)1-2-4(7)8/h4-11,17,22H,2-3,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

QAGGLICGAXHMIZ-BTJKTKAUSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 850mg/kg (850mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 286, 1974.