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Substance Name: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(dimethylamino)methyl-, citrate
RN: 64036-66-4
InChIKey: LIXTXPYJKYXISW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N-O2.C6-H8-O7

Molecular Weight

  • 501.529
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64036-66-4

System Generated Number

  • 0064036664

Molecular Formulas

Molecular Formula

  • C20-H24-N-O2.C6-H8-O7

Molecular Formula Fragments

  • C20-H24-N-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO2.C6H8O7/c1-21(2)13-17-14-22-20(23-17)18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-10,17H,11-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

LIXTXPYJKYXISW-UHFFFAOYSA-N

Smiles

C12(OC[C@@H](O1)CN(C)C)c1c(CCc3c2cccc3)cccc1.OC(CC(CC(O)=O)(C(O)=O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 550mg/kg (550mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 286, 1974.