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Substance Name: 2-(4-(2-Piperidinoethoxy)phenyl)-3-(4-methoxyphenyl)-2H-benzopyran
RN: 157173-60-9
InChIKey: CLSQFRZGLVXJHC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-N-O3

Molecular Weight

  • 441.568
 
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Names and Synonyms

Name of Substance

  • 2-(4-(2-Piperidinoethoxy)phenyl)-3-(4-methoxyphenyl)-2H-benzopyran

Synonyms

  • 1-(2-(4-(3-(4-Methoxyphenyl)-2H-1-benzopyran-2-yl)phenoxy)ethyl)piperidine
  • 2-(4-(2-Piperidinoethoxy)phenyl)-3-(4-methoxyphenyl)-2H-1-benzopyran

Systematic Name

  • Piperidine, 1-(2-(4-(3-(4-methoxyphenyl)-2H-1-benzopyran-2-yl)phenoxy)ethyl)-

Registry Numbers

CAS Registry Number

  • 157173-60-9

System Generated Number

  • 0157173609

Structure Descriptors

InChI

1S/C29H31NO3/c1-31-25-13-9-22(10-14-25)27-21-24-7-3-4-8-28(24)33-29(27)23-11-15-26(16-12-23)32-20-19-30-17-5-2-6-18-30/h3-4,7-16,21,29H,2,5-6,17-20H2,1H3

InChIKey

CLSQFRZGLVXJHC-UHFFFAOYSA-N

Smiles

N1(CCCCC1)CCOc1ccc(cc1)[C@@H]1C(=Cc2c(O1)cccc2)c1ccc(cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 5gm/kg (5000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 32, Pg. 135, 1997.