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Substance Name: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-((4-diisopropylcarbamoylmethyl)piperazinyl)methyl-, dimaleate
RN: 64036-65-3
InChIKey: BSSPFMOFZRWECO-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H35-N3-O3.2C4-H4-O4

Molecular Weight

  • 721.7993
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 64036-65-3

System Generated Number

  • 0064036653

Molecular Formulas

Molecular Formula

  • C27-H35-N3-O3.2C4-H4-O4

Molecular Formula Fragments

  • C27-H35-N3-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H39N3O3.2C4H4O4/c1-22(2)33(23(3)4)29(34)20-32-17-15-31(16-18-32)19-26-21-35-30(36-26)27-11-7-5-9-24(27)13-14-25-10-6-8-12-28(25)30;2*5-3(6)1-2-4(7)8/h5-14,22-23,26H,15-21H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

BSSPFMOFZRWECO-LVEZLNDCSA-N

Smiles

CC(N(C(=O)CN1CCN(CC1)CC2OC3(OC2)c4c(cccc4)C=Cc5c3cccc5)C(C)C)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.