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Substance Name: 1H-Cyclohepta(b)pyridine-1-propanamide, N-(2-chloro-6-methylphenyl)decahydro-, cis-, ethanedioate (1:1)
RN: 41920-89-2
InChIKey: XJLALYHHUMJQSS-AKXYIILFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-Cl-N2-O.C2-H2-O4

Molecular Weight

  • 438.9489
 
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Names and Synonyms

  • 1H-Cyclohepta(b)pyridine-1-propanamide, N-(2-chloro-6-methylphenyl)decahydro-, cis-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 41920-89-2

System Generated Number

  • 0041920892

Molecular Formulas

Molecular Formula

  • C20-H29-Cl-N2-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H29-Cl-N2-O
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29ClN2O.C2H2O4/c1-15-7-5-10-17(21)20(15)22-19(24)12-14-23-13-6-9-16-8-3-2-4-11-18(16)23;3-1(4)2(5)6/h5,7,10,16,18H,2-4,6,8-9,11-14H2,1H3,(H,22,24);(H,3,4)(H,5,6)/t16-,18-;/m0./s1

InChIKey

XJLALYHHUMJQSS-AKXYIILFSA-N

Smiles

Cc1cccc(c1NC(=O)CCN2CCC[C@H]3[C@@H]2CCCCC3)Cl.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intravenous > 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 394, 1973.