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Substance Name: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(4-(morpholinocarbonylmethyl)piperazinyl)methyl-, dimaleate
RN: 40536-26-3
InChIKey: YHBYZDXXYOSVTP-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H35-N3-O4.2C4-H4-O4

Molecular Weight

  • 709.7447
 
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Names and Synonyms

  • Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(4-(morpholinocarbonylmethyl)piperazinyl)methyl-, dimaleate

Registry Numbers

CAS Registry Number

  • 40536-26-3

System Generated Number

  • 0040536263

Molecular Formulas

Molecular Formula

  • C28-H35-N3-O4.2C4-H4-O4

Molecular Formula Fragments

  • C28-H35-N3-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H35N3O4.2C4H4O4/c32-27(31-15-17-33-18-16-31)20-30-13-11-29(12-14-30)19-24-21-34-28(35-24)25-7-3-1-5-22(25)9-10-23-6-2-4-8-26(23)28;2*5-3(6)1-2-4(7)8/h1-8,24H,9-21H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

YHBYZDXXYOSVTP-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)C3(OC(CO3)CN4CCN(CC4)CC(=O)N5CCOCC5)c6c(cccc6)CC2.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 1300mg/kg (1300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 634, 1974.