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Substance Name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-2-chloro-4'-(diethylamino)methyl-, oxalate
RN: 39890-35-2
InChIKey: SISNUVGPTCCAFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-Cl-N-O3.C2-H2-O4

Molecular Weight

  • 463.9114
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 39890-35-2

System Generated Number

  • 0039890352

Molecular Formulas

Molecular Formula

  • C21-H24-Cl-N-O3.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H24-Cl-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24ClNO3.C2H2O4/c1-3-23(4-2)12-17-14-25-21(26-17)18-8-6-5-7-15(18)13-24-20-10-9-16(22)11-19(20)21;3-1(4)2(5)6/h5-11,17H,3-4,12-14H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

SISNUVGPTCCAFS-UHFFFAOYSA-N

Smiles

CCN(CC)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 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 286, 1974.