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Substance Name: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-((4-(hexahydro-1H-azepin-1-yl)carbonylmethyl)piperazinyl)methyl-, dimaleate
RN: 40536-39-8
InChIKey: QTBRWQIHKMOJLM-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H37-N3-O3.2C4-H4-O4

Molecular Weight

  • 719.7835
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 40536-39-8

System Generated Number

  • 0040536398

Molecular Formulas

Molecular Formula

  • C30-H37-N3-O3.2C4-H4-O4

Molecular Formula Fragments

  • C30-H37-N3-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H37N3O3.2C4H4O4/c34-29(33-15-7-1-2-8-16-33)22-32-19-17-31(18-20-32)21-26-23-35-30(36-26)27-11-5-3-9-24(27)13-14-25-10-4-6-12-28(25)30;2*5-3(6)1-2-4(7)8/h3-6,9-14,26H,1-2,7-8,15-23H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

QTBRWQIHKMOJLM-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)C3(OC(CO3)CN4CCN(CC4)CC(=O)N5CCCCCC5)c6c(cccc6)C=C2.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 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 634, 1974.