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Substance Name: 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride
RN: 126807-04-3
InChIKey: NQJJBEJOJUYEKJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O2.Cl-H

Molecular Weight

  • 353.9308
 
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Names and Synonyms

Synonym

  • Octahydro-4-methyl-2-(pentyloxy)-2-phenyl-2H-1,4-benzoxazine hydrochloride

Systematic Name

  • 2H-1,4-Benzoxazine, octahydro-4-methyl-2-(pentyloxy)-2-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 126807-04-3

System Generated Number

  • 0126807043

Molecular Formulas

Molecular Formula

  • C20-H31-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H31-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31NO2.ClH/c1-3-4-10-15-22-20(17-11-6-5-7-12-17)16-21(2)18-13-8-9-14-19(18)23-20;/h5-7,11-12,18-19H,3-4,8-10,13-16H2,1-2H3;1H

InChIKey

NQJJBEJOJUYEKJ-UHFFFAOYSA-N

Smiles

CCCCCOC1(CN(C2CCCCC2O1)C)c3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 145mg/kg (145mg/kg)   Archiv der Pharmazie Vol. 323, Pg. 53, 1990.