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Substance Name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-((1-pyrrolidinyl)carbonylmethyl)piperazinyl)methyl-, dimaleate
RN: 39890-27-2
InChIKey: NIHLZEQXNMSNTG-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N3-O4.2C4-H4-O4

Molecular Weight

  • 695.7179
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 39890-27-2

System Generated Number

  • 0039890272

Molecular Formulas

Molecular Formula

  • C27-H33-N3-O4.2C4-H4-O4

Molecular Formula Fragments

  • C27-H33-N3-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H33N3O4.2C4H4O4/c31-26(30-11-5-6-12-30)18-29-15-13-28(14-16-29)17-22-20-33-27(34-22)23-8-2-1-7-21(23)19-32-25-10-4-3-9-24(25)27;2*5-3(6)1-2-4(7)8/h1-4,7-10,22H,5-6,11-20H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

NIHLZEQXNMSNTG-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)C3(OC(CO3)CN4CCN(CC4)CC(=O)N5CCCC5)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 LD50 oral 1600mg/kg (1600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 634, 1974.