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Substance Name: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(propylamino)methyl-, maleate
RN: 52467-37-5
InChIKey: LTIQDBREXPREBY-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N-O2.C4-H4-O4

Molecular Weight

  • 437.489
 
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Names and Synonyms

Synonym

  • 4'-(Propylamino)methylspiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane) maleate

Systematic Name

  • Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(propylamino)methyl-, maleate

Registry Numbers

CAS Registry Number

  • 52467-37-5

System Generated Number

  • 0052467375

Molecular Formulas

Molecular Formula

  • C21-H26-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C21-H26-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO2.C4H4O4/c1-2-13-22-14-18-15-23-21(24-18)19-9-5-3-7-16(19)11-12-17-8-4-6-10-20(17)21;5-3(6)1-2-4(7)8/h3-12,18,22H,2,13-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

LTIQDBREXPREBY-BTJKTKAUSA-N

Smiles

C12(OC[C@@H](O1)CNCCC)c1c(C=Cc3c2cccc3)cccc1.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 286, 1974.