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Substance Name: Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride
RN: 17854-76-1
InChIKey: GLMPJGABYSVIST-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O3.Cl-H

Molecular Weight

  • 359.851
 
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Names and Synonyms

Synonym

  • 3-Methoxy-4-(piperidinomethyl)xanthen-9-one hydrochloride

Systematic Name

  • Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 17854-76-1

Related Registry Number

  • 17854-59-0 (Parent)

System Generated Number

  • 0017854761

Molecular Formulas

Molecular Formula

  • C20-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H21NO3.ClH/c1-23-17-10-9-15-19(22)14-7-3-4-8-18(14)24-20(15)16(17)13-21-11-5-2-6-12-21;/h3-4,7-10H,2,5-6,11-13H2,1H3;1H

InChIKey

GLMPJGABYSVIST-UHFFFAOYSA-N

Smiles

c1(c2ccc(c(c2oc2ccccc12)CN1CCCCC1)OC)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70727ug/kg (70.727mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Medicinal Chemistry. Vol. 13, Pg. 527, 1970.