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Substance Name: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-morpholinomethyl-, oxalate
RN: 64036-68-6
InChIKey: NMJZLJAMPZSVAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N-O2.C2-H2-O4

Molecular Weight

  • 441.477
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64036-68-6

System Generated Number

  • 0064036686

Molecular Formulas

Molecular Formula

  • C22-H26-N-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H26-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO3.C2H2O4/c1-3-7-20-17(5-1)9-10-18-6-2-4-8-21(18)22(20)25-16-19(26-22)15-23-11-13-24-14-12-23;3-1(4)2(5)6/h1-8,19H,9-16H2;(H,3,4)(H,5,6)

InChIKey

NMJZLJAMPZSVAN-UHFFFAOYSA-N

Smiles

C12(OC[C@@H](O1)CN1CCOCC1)c1c(cccc1)CCc1ccccc21.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 286, 1974.