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Substance Name: Piperazineacetamide, N,N-dimethyl-4-(spiro(5H)-dibenzo(a,d)cycloheptene-5,2'-(1,3)dioxolan-4'-ylmethyl)-, (Z)-2-butenedioate (1:2)
RN: 40536-33-2
InChIKey: GVFPARXOMVHQCU-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N3-O3.C8-H8-O8

Molecular Weight

  • 665.6921
 
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Names and Synonyms

  • Piperazineacetamide, N,N-dimethyl-4-(spiro(5H)-dibenzo(a,d)cycloheptene-5,2'-(1,3)dioxolan-4'-ylmethyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 40536-33-2

System Generated Number

  • 0040536332

Molecular Formulas

Molecular Formula

  • C26-H31-N3-O3.C8-H8-O8

Molecular Formula Fragments

  • C26-H31-N3-O3
  • C8-H8-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C26H31N3O3.2C4H4O4/c1-27(2)25(30)18-29-15-13-28(14-16-29)17-22-19-31-26(32-22)23-9-5-3-7-20(23)11-12-21-8-4-6-10-24(21)26;2*5-3(6)1-2-4(7)8/h3-12,22H,13-19H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

GVFPARXOMVHQCU-LVEZLNDCSA-N

Smiles

CN(C(=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 > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 634, 1974.