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Substance Name: 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-5-(4-(m-methylbenzyl)-1-piperazinyl)-, maleate (1:1)
RN: 34137-59-2
InChIKey: VCNUUBDUOMVFBB-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H29-N3.C4-H4-O4

Molecular Weight

  • 499.608
 
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Names and Synonyms

  • 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-5-(4-(m-methylbenzyl)-1-piperazinyl)-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 34137-59-2

System Generated Number

  • 0034137592

Molecular Formulas

Molecular Formula

  • C26-H29-N3.C4-H4-O4

Molecular Formula Fragments

  • C26-H29-N3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29N3.C4H4O4/c1-20-6-4-7-21(18-20)19-28-14-16-29(17-15-28)26-23-9-3-2-8-22(23)11-12-25-24(26)10-5-13-27-25;5-3(6)1-2-4(7)8/h2-10,13,18,26H,11-12,14-17,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

VCNUUBDUOMVFBB-BTJKTKAUSA-N

Smiles

c12[C@@H](c3c(CCc1cccc2)[n+]ccc3)N1CC[NH+](Cc2cc(ccc2)C)CC1.C(=C/C(=O)[O-])\C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2240mg/kg (2240mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 1415, 1971.