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Substance Name: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-piperidinomethyl-, oxalate
RN: 64036-57-3
InChIKey: BXARXSIGRZEVPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N-O2.C2-H2-O4

Molecular Weight

  • 439.505
 
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Names and Synonyms

  • Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-piperidinomethyl-, oxalate

Registry Numbers

CAS Registry Number

  • 64036-57-3

System Generated Number

  • 0064036573

Molecular Formulas

Molecular Formula

  • C23-H28-N-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C23-H28-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27NO2.C2H2O4/c1-6-14-24(15-7-1)16-20-17-25-23(26-20)21-10-4-2-8-18(21)12-13-19-9-3-5-11-22(19)23;3-1(4)2(5)6/h2-5,8-11,20H,1,6-7,12-17H2;(H,3,4)(H,5,6)

InChIKey

BXARXSIGRZEVPJ-UHFFFAOYSA-N

Smiles

C12(OC[C@@H](O1)CN1CCCCC1)c1c(cccc1)CCc1ccccc21.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 286, 1974.