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Substance Name: 1-Piperidineacetamide, N-(1-(4-cyclopentylphenyl)ethyl)-N-methyl-, (Z)-2-butenedioate, hydrate (2:2:1)
RN: 80649-53-2
InChIKey: DYMWCFJZICIYRQ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-N2-O.C4-H4-O4.1/2H2-O

Molecular Weight

  • 444.5684
 
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Names and Synonyms

Synonym

  • N-(1-(4-Cyclopentylphenyl)ethyl)-N-methylpiperidinoacetamide hydrogen maleate hemihydrate

Systematic Name

  • 1-Piperidineacetamide, N-(1-(4-cyclopentylphenyl)ethyl)-N-methyl-, (Z)-2-butenedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 80649-53-2

System Generated Number

  • 0080649532

Molecular Formulas

Molecular Formula

  • C21-H32-N2-O.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C21-H32-N2-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H32N2O.C4H4O4/c1-17(22(2)21(24)16-23-14-6-3-7-15-23)18-10-12-20(13-11-18)19-8-4-5-9-19;5-3(6)1-2-4(7)8/h10-13,17,19H,3-9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

DYMWCFJZICIYRQ-WLHGVMLRSA-N

Smiles

CC(c1ccc(cc1)C2CCCC2)N(C)C(=O)CN3CCCCC3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 2234, 1981.