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Substance Name: 3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-2-oxo-1-phenyl-, endo-, (E)-2-butenedioate, hydrate (1:1:2) (salt)
RN: 139094-69-2
InChIKey: ODYVUTAWFKSFFK-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H25-N3-O3.C4-H4-O4.2H2-O

Molecular Weight

  • 519.5511
 
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Names and Synonyms

  • 3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-2-oxo-1-phenyl-, endo-, (E)-2-butenedioate, hydrate (1:1:2) (salt)

Registry Numbers

CAS Registry Number

  • 139094-69-2

System Generated Number

  • 0139094692

Molecular Formulas

Molecular Formula

  • C24-H25-N3-O3.C4-H4-O4.2H2-O

Molecular Formula Fragments

  • C24-H25-N3-O3
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H25N3O3.C4H4O4/c1-26-17-11-12-18(26)14-15(13-17)25-23(29)21-22(28)19-9-5-6-10-20(19)27(24(21)30)16-7-3-2-4-8-16;5-3(6)1-2-4(7)8/h2-10,15,17-18,28H,11-14H2,1H3,(H,25,29);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ODYVUTAWFKSFFK-WLHGVMLRSA-N

Smiles

CN1C2CCC1CC(C2)NC(=O)c3c(c4ccccc4n(c3=O)c5ccccc5)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18200ug/kg (18.2mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 617, 1993.