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Substance Name: 3-Hexanone, 4,4-diphenyl-6-(2,3-dihydrospiro(naphthalene-1(4H),4'-piperid)-1'-yl)-, oxalate
RN: 101564-56-1
InChIKey: DRZCBAHULALFNW-UHFFFAOYSA-N

Molecular Formula

  • C32-H37-N-O.C2-H2-O4

Molecular Weight

  • 541.6841
 
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Names and Synonyms

Synonym

  • 1-(3,3'-Diphenyl-4-oxohexyl)piperidine-4-spiro-1'(1',2',3',4'-tetrahydronaphthalene) oxalate

Systematic Name

  • 3-Hexanone, 4,4-diphenyl-6-(2,3-dihydrospiro(naphthalene-1(4H),4'-piperid)-1'-yl)-, oxalate

Registry Numbers

CAS Registry Number

  • 101564-56-1

System Generated Number

  • 0101564561

Molecular Formulas

Molecular Formula

  • C32-H37-N-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C32-H37-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C32H37NO.C2H2O4/c1-2-30(34)32(27-14-5-3-6-15-27,28-16-7-4-8-17-28)22-25-33-23-20-31(21-24-33)19-11-13-26-12-9-10-18-29(26)31;3-1(4)2(5)6/h3-10,12,14-18H,2,11,13,19-25H2,1H3;(H,3,4)(H,5,6)

InChIKey

DRZCBAHULALFNW-UHFFFAOYSA-N

Smiles

CCC(=O)C(CCN1CCC2(CCCc3c2cccc3)CC1)(c4ccccc4)c5ccccc5.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1000ug/kg (1mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11377,