Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1-methyl-2-(1-piperidinyl)ethyl ester, hydrochloride, hydrate
RN: 86433-61-6
InChIKey: RBBVSTUTCNTARR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N-O4.Cl-H.H2-O

Molecular Weight

  • 441.9522
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 1-Methyl-2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-3H-1-benzopyran-8-carboxylate HCl H2O

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86433-61-6

System Generated Number

  • 0086433616

Molecular Formulas

Molecular Formula

  • C25-H27-N-O4.Cl-H.H2-O

Molecular Formula Fragments

  • C25-H27-N-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H27NO4.ClH/c1-17(16-26-14-7-4-8-15-26)29-25(28)21-13-9-12-20-22(27)18(2)23(30-24(20)21)19-10-5-3-6-11-19;/h3,5-6,9-13,17H,4,7-8,14-16H2,1-2H3;1H

InChIKey

RBBVSTUTCNTARR-UHFFFAOYSA-N

Smiles

Cc1c(=O)c2cccc(c2oc1c3ccccc3)C(=O)OC(C)CN4CCCCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 28, 1993.
mouse LD50 oral 391mg/kg (391mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 28, 1993.