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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-methoxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-
RN: 61098-73-5
InChIKey: MQCHJYFPSMMCDA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-F-N-O2.Cl-H

Molecular Weight

  • 417.9491
 
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Names and Synonyms

  • 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-methoxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 61098-73-5

System Generated Number

  • 0061098735

Molecular Formulas

Molecular Formula

  • C24-H28-F-N-O2.Cl-H

Molecular Formula Fragments

  • C24-H28-F-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H28FNO2.ClH/c1-28-22-7-2-5-19(15-22)24-13-3-6-21(16-24)26(17-24)14-4-8-23(27)18-9-11-20(25)12-10-18;/h2,5,7,9-12,15,21H,3-4,6,8,13-14,16-17H2,1H3;1H

InChIKey

MQCHJYFPSMMCDA-UHFFFAOYSA-N

Smiles

COc1cccc(c1)C23CCCC(C2)N(C3)CCCC(=O)c4ccc(cc4)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 225mg/kg (225mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 221, 1977.