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Substance Name: 3-Quinolinecarboxamide, 1-butyl-1,2-dihydro-4-hydroxy-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-2-oxo-, endo-, (E)-2-butenedioate (1:2) (salt)
RN: 147455-96-7
InChIKey: WHCSIKWYBBYDCZ-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N3-O3.2C4-H4-O4

Molecular Weight

  • 615.6323
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 147455-96-7

System Generated Number

  • 0147455967

Molecular Formulas

Molecular Formula

  • C22-H29-N3-O3.2C4-H4-O4

Molecular Formula Fragments

  • C22-H29-N3-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29N3O3.2C4H4O4/c1-3-4-11-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)23-14-12-15-9-10-16(13-14)24(15)2;2*5-3(6)1-2-4(7)8/h5-8,14-16,26H,3-4,9-13H2,1-2H3,(H,23,27);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

WHCSIKWYBBYDCZ-LVEZLNDCSA-N

Smiles

CCCCn1c(=O)c(c(c2c1cccc2)O)C(=O)NC3CC4N(C(C3)CC4)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 47mg/kg (47mg/kg)   Journal of Medicinal Chemistry. Vol. 36, Pg. 617, 1993.