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Substance Name: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(4-(isopropylcarbamoylmethyl)piperazinyl)methyl-, dimaleate
RN: 40536-32-1
InChIKey: RUCMWNQXNTYTFC-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N3-O3.2C4-H4-O4

Molecular Weight

  • 679.7189
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 40536-32-1

System Generated Number

  • 0040536321

Molecular Formulas

Molecular Formula

  • C27-H33-N3-O3.2C4-H4-O4

Molecular Formula Fragments

  • C27-H33-N3-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H33N3O3.2C4H4O4/c1-20(2)28-26(31)18-30-15-13-29(14-16-30)17-23-19-32-27(33-23)24-9-5-3-7-21(24)11-12-22-8-4-6-10-25(22)27;2*5-3(6)1-2-4(7)8/h3-12,20,23H,13-19H2,1-2H3,(H,28,31);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

RUCMWNQXNTYTFC-LVEZLNDCSA-N

Smiles

CC(NC(=O)CN1CCN(CC1)CC2OC3(OC2)c4c(cccc4)C=Cc5c3cccc5)C.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 1200mg/kg (1200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 634, 1974.