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Substance Name: Malonic acid, phenyl(piperidinomethyl)-, diethyl ester
RN: 53361-58-3
InChIKey: LNPAHLGTMZENQF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N-O4

Molecular Weight

  • 333.425
 
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Names and Synonyms

Synonyms

  • 0-20-00-00066 (Beilstein Handbook Reference)
  • BRN 0309513
  • Fenil piperidinometil malonato dietilico
  • Fenil piperidinometil malonato dietilico [Italian]
  • Phenyl(piperidinomethyl)malonic acid diethyl ester
  • Sch 3801

Systematic Name

  • Malonic acid, phenyl(piperidinomethyl)-, diethyl ester

Registry Numbers

CAS Registry Number

  • 53361-58-3

System Generated Number

  • 0053361583

Structure Descriptors

InChI

1S/C19H27NO4/c1-3-23-17(21)19(18(22)24-4-2,16-11-7-5-8-12-16)15-20-13-9-6-10-14-20/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3

InChIKey

LNPAHLGTMZENQF-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(CN1CCCCC1)(C(OCC)=O)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1005mg/kg (1005mg/kg)   Bollettino Chimico Farmaceutico. Vol. 100, Pg. 411, 1961.