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Substance Name: Malonic acid, (2-(3-methyl-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)ethyl)-, diethyl ester, hydrochloride
RN: 101756-24-5
InChIKey: NOJLQGVHODOWHL-UHFFFAOYSA-N

Molecular Formula

  • C23-H33-N3-O5.Cl-H

Molecular Weight

  • 454.007
 
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Names and Synonyms

Synonym

  • 8-(3,3-Bis(ethoxycarbonyl)propyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane HCl

Systematic Name

  • Malonic acid, (2-(3-methyl-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)ethyl)-, diethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101756-24-5

System Generated Number

  • 0101756245

Molecular Formulas

Molecular Formula

  • C23-H33-N3-O5.Cl-H

Molecular Formula Fragments

  • C23-H33-N3-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H35N3O4.ClH/c1-4-29-21(27)20(22(28)30-5-2)11-14-25-15-12-23(13-16-25)17-24(3)18-26(23)19-9-7-6-8-10-19;/h6-10,20H,4-5,11-18H2,1-3H3;1H

InChIKey

NOJLQGVHODOWHL-UHFFFAOYSA-N

Smiles

C12(N(c3ccccc3)C[N@@H+](C1)C)CCN(CCC(C(OCC)=O)C(OCC)=O)CC2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11705,