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Substance Name: Ketone, p-methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl, hydrochloride
RN: 100088-38-8
InChIKey: KNNCNPUGDHWFJU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N-O4.Cl-H

Molecular Weight

  • 403.903
 
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Names and Synonyms

Synonyms

  • 1,4-Benzodioxan, 7-(p-methoxybenzoyl)-2-(piperidinomethyl)-, hydrochloride
  • 3638 CT
  • p-Methoxyphenyl 3-piperidinomethyl-1,4-benzodioxan-6-yl ketone hydrochloride
  • Piperidinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrate
  • Piperidinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrate [French]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100088-38-8

System Generated Number

  • 0100088388

Molecular Formulas

Molecular Formula

  • C22-H25-N-O4.Cl-H

Molecular Formula Fragments

  • C22-H25-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25NO4.ClH/c1-25-18-8-5-16(6-9-18)22(24)17-7-10-20-21(13-17)27-19(15-26-20)14-23-11-3-2-4-12-23;/h5-10,13,19H,2-4,11-12,14-15H2,1H3;1H

InChIKey

KNNCNPUGDHWFJU-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)C(c1ccc(OC)cc1)=O)OC[C@@H](O2)C[NH+]1CCCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 225mg/kg (225mg/kg) BEHAVIORAL: ANALGESIA Therapie. Vol. 13, Pg. 17, 1958.