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Substance Name: 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1-methyl-3-(1-piperidinyl)propyl ester, hydrochloride, hemihydrate
RN: 86433-59-2
InChIKey: SEIASSYHCMULCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H29-N-O4.Cl-H.1/2H2-O

Molecular Weight

  • 455.979
 
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Names and Synonyms

Synonym

  • 1-Methyl-3-(N-piperidino)propyl 3-methylflavone-8-carboxylate hydrochloride hemihydrate

Systematic Name

  • 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1-methyl-3-(1-piperidinyl)propyl ester, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 86433-59-2

System Generated Number

  • 0086433592

Molecular Formulas

Molecular Formula

  • C26-H29-N-O4.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C26-H29-N-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H29NO4.ClH/c1-18(14-17-27-15-7-4-8-16-27)30-26(29)22-13-9-12-21-23(28)19(2)24(31-25(21)22)20-10-5-3-6-11-20;/h3,5-6,9-13,18H,4,7-8,14-17H2,1-2H3;1H

InChIKey

SEIASSYHCMULCI-UHFFFAOYSA-N

Smiles

Cc1c(=O)c2cccc(c2oc1c3ccccc3)C(=O)OC(C)CCN4CCCCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 74mg/kg (74mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 28, 1993.
mouse LD50 oral 321mg/kg (321mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 28, 1993.