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Substance Name: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-7-chloro-5-(8-methyl-8-azabicyclo(3.2.1)oct-5-yl)oxy-, hydrogen fumarate
RN: 63917-52-2
InChIKey: KXQYPGBFJYXWKM-WLHGVMLRSA-N

Molecular Formula

  • C22-H25-Cl-N2-O.C4-H4-O4

Molecular Weight

  • 484.9771
 
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Names and Synonyms

  • 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-7-chloro-5-(8-methyl-8-azabicyclo(3.2.1)oct-5-yl)oxy-, hydrogen fumarate

Registry Numbers

CAS Registry Number

  • 63917-52-2

System Generated Number

  • 0063917522

Molecular Formulas

Molecular Formula

  • C22-H25-Cl-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C22-H25-Cl-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25ClN2O.C4H4O4/c1-25-17-4-2-11-22(25,12-10-17)26-21-18-5-3-13-24-20(18)9-7-15-6-8-16(23)14-19(15)21;5-3(6)1-2-4(7)8/h3,5-6,8,13-14,17,21H,2,4,7,9-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

KXQYPGBFJYXWKM-WLHGVMLRSA-N

Smiles

CN1C2CCCC1(CC2)OC3c4cccnc4CCc5c3cc(cc5)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 220mg/kg (220mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 133, 1972.