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Substance Name: Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride
RN: 100323-45-3
InChIKey: BTJXBTQDLNKKHH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O5.Cl-H

Molecular Weight

  • 405.876
 
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Names and Synonyms

Synonyms

  • 1,4-Benzodioxan, 7-(p-methoxybenzoyl)-2-(morpholinomethyl)-, hydrochloride
  • 3639 CT
  • Morpholinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrate
  • Morpholinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrate [French]
  • p-Methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl ketone hydrochloride

Systematic Name

  • Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride

Registry Numbers

CAS Registry Number

  • 100323-45-3

System Generated Number

  • 0100323453

Molecular Formulas

Molecular Formula

  • C21-H23-N-O5.Cl-H

Molecular Formula Fragments

  • C21-H23-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23NO5.ClH/c1-24-17-5-2-15(3-6-17)21(23)16-4-7-19-20(12-16)27-18(14-26-19)13-22-8-10-25-11-9-22;/h2-7,12,18H,8-11,13-14H2,1H3;1H

InChIKey

BTJXBTQDLNKKHH-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)C(c1ccc(OC)cc1)=O)OC[C@@H](O2)C[NH+]1CCOCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 285mg/kg (285mg/kg) BEHAVIORAL: ANALGESIA Therapie. Vol. 13, Pg. 17, 1958.