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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-,endo-, (E)-2-butenedioate, hydrate (2:2:1)
RN: 141433-33-2
InChIKey: WVPTZZUWMNZPFC-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O3.C4-H4-O4.1/2H2-O

Molecular Weight

  • 443.4535
 
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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-,endo-, (E)-2-butenedioate, hydrate (2:2:1)

Registry Numbers

CAS Registry Number

  • 141433-33-2

System Generated Number

  • 0141433332

Molecular Formulas

Molecular Formula

  • C18-H21-N3-O3.C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C18-H21-N3-O3
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H21N3O3.C4H4O4/c1-21-11-6-7-12(21)9-10(8-11)19-17(23)15-16(22)13-4-2-3-5-14(13)20-18(15)24;5-3(6)1-2-4(7)8/h2-5,10-12H,6-9H2,1H3,(H,19,23)(H2,20,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

WVPTZZUWMNZPFC-WLHGVMLRSA-N

Smiles

CN1C2CCC1CC(C2)NC(=O)c3c(c4ccccc4[nH]c3=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 88mg/kg (88mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 617, 1993.