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Substance Name: Paroxetine hydrochloride hemihydrate
RN: 110429-35-1
UNII: X2ELS050D8
InChIKey: MQZOATSIFWSKKT-OASXIEIISA-N

Molecular Formula

  • C19-H20-F-N-O3.Cl-H.1/2H2-O

Molecular Weight

  • 749.6746
 

Names and Synonyms

Name of Substance

  • Paroxetine hydrochloride hemihydrate

Synonyms

  • (-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidine hydrochloride hemihydrate
  • Paroxetine HCl hydrate
  • Paroxetine hydrochloride hemihydrate
  • UNII-X2ELS050D8

Registry Numbers

CAS Registry Number

  • 110429-35-1

FDA UNII

  • X2ELS050D8

System Generated Number

  • 0110429351

Molecular Formulas

Molecular Formula

  • C19-H20-F-N-O3.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C19-H20-F-N-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

InChI=1S/2C19H20FNO3.2ClH.H2O/c2*20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;;;/h2*1-6,9,14,17,21H,7-8,10-12H2;2*1H;1H2/t2*14-,17-;;;/m00.../s1

InChIKey

MQZOATSIFWSKKT-OASXIEIISA-N

Smiles

O.Cl.Cl.Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3.Fc5ccc(cc5)[C@@H]6CCNC[C@H]6COc7ccc8OCOc8c7