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Substance Name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-((hexahydro-1H-azepin-1-yl)carbonylmethyl)piperazinyl)methyl-, dimaleate
RN: 39890-29-4
InChIKey: MWSANJQUMHNWSS-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H37-N3-O4.2C4-H4-O4

Molecular Weight

  • 723.7715
 
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Names and Synonyms

  • Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-((hexahydro-1H-azepin-1-yl)carbonylmethyl)piperazinyl)methyl-, dimaleate

Registry Numbers

CAS Registry Number

  • 39890-29-4

System Generated Number

  • 0039890294

Molecular Formulas

Molecular Formula

  • C29-H37-N3-O4.2C4-H4-O4

Molecular Formula Fragments

  • C29-H37-N3-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H37N3O4.2C4H4O4/c33-28(32-13-7-1-2-8-14-32)20-31-17-15-30(16-18-31)19-24-22-35-29(36-24)25-10-4-3-9-23(25)21-34-27-12-6-5-11-26(27)29;2*5-3(6)1-2-4(7)8/h3-6,9-12,24H,1-2,7-8,13-22H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

MWSANJQUMHNWSS-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)C3(OC(CO3)CN4CCN(CC4)CC(=O)N5CCCCCC5)c6c(cccc6)OC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 634, 1974.