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Substance Name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(dimethylamino)methyl-2-methoxy-, citrate
RN: 64036-54-0
InChIKey: IBCWSCSWYMNIQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O4.C6-H8-O7

Molecular Weight

  • 533.527
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64036-54-0

System Generated Number

  • 0064036540

Molecular Formulas

Molecular Formula

  • C20-H23-N-O4.C6-H8-O7

Molecular Formula Fragments

  • C20-H23-N-O4
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO4.C6H8O7/c1-21(2)11-16-13-24-20(25-16)17-7-5-4-6-14(17)12-23-19-9-8-15(22-3)10-18(19)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,16H,11-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

IBCWSCSWYMNIQN-UHFFFAOYSA-N

Smiles

c12[C@@]3(OC[C@@H](O3)CN(C)C)c3ccccc3COc1ccc(OC)c2.OC(CC(CC(O)=O)(C(O)=O)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 675mg/kg (675mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 286, 1974.