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Substance Name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-(isopropylcarbamoylmethyl)piperazinyl)methyl-, dimaleate
RN: 39890-24-9
InChIKey: LYEPMYIUAWUJSF-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H23-N3-O4.2C4-H4-O4

Molecular Weight

  • 683.7069
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 39890-24-9

System Generated Number

  • 0039890249

Molecular Formulas

Molecular Formula

  • C26-H23-N3-O4.2C4-H4-O4

Molecular Formula Fragments

  • C26-H23-N3-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H33N3O4.2C4H4O4/c1-19(2)27-25(30)16-29-13-11-28(12-14-29)15-21-18-32-26(33-21)22-8-4-3-7-20(22)17-31-24-10-6-5-9-23(24)26;2*5-3(6)1-2-4(7)8/h3-10,19,21H,11-18H2,1-2H3,(H,27,30);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

LYEPMYIUAWUJSF-LVEZLNDCSA-N

Smiles

CC(NC(=O)CN1CCN(CC1)CC2OC3(OC2)c4c(cccc4)OCc5c3cccc5)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 3500mg/kg (3500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 634, 1974.