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Substance Name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(dimethylamino)methyl-, oxalate
RN: 39890-34-1
InChIKey: ZTDIPPQFTNXLID-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-Cl-N-O3.C2-H2-O4

Molecular Weight

  • 435.8578
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 39890-34-1

System Generated Number

  • 0039890341

Molecular Formulas

Molecular Formula

  • C18-H21-Cl-N-O3.C2-H2-O4

Molecular Formula Fragments

  • C18-H21-Cl-N-O3
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H20ClNO3.C2H2O4/c1-21(2)10-15-12-23-19(24-15)16-6-4-3-5-13(16)11-22-18-8-7-14(20)9-17(18)19;3-1(4)2(5)6/h3-9,15H,10-12H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

ZTDIPPQFTNXLID-UHFFFAOYSA-N

Smiles

CN(C)CC1COC2(O1)c3ccccc3COc4c2cc(cc4)Cl.C(=O)(C(=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.