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Substance Name: Oxetorone [INN]
RN: 26020-55-3
UNII: T3XOS33TIQ
InChIKey: VZVRZTZPHOHSCK-UHFFFAOYSA-N

Note

  • Treatment of migraine.

Molecular Formula

  • C21-H21-N-O2

Molecular Weight

  • 319.4019
 
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Names and Synonyms

Results Name

  • Oxetorone [INN]

Name of Substance

  • Oxetorone
  • Oxetorone [INN]

Synonyms

  • 3-(12H-Benzofuro(3,2-c)(1)benzoxepin-6-yliden)-N,N-dimethylpropylamin
  • EINECS 247-411-3
  • N,N-Dimethylbenzofuro(3,2-c)(1)benzoxepin-delta6(12H),gamma-propylamine
  • Oxetorona
  • Oxetorona [INN-Spanish]
  • Oxetorone
  • Oxetoronum
  • Oxetoronum [INN-Latin]
  • UNII-T3XOS33TIQ

Systematic Name

  • Oxetorone

Registry Numbers

CAS Registry Number

  • 26020-55-3

FDA UNII

  • T3XOS33TIQ

System Generated Number

  • 0026020553

Structure Descriptors

InChI

1S/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3

InChIKey

VZVRZTZPHOHSCK-UHFFFAOYSA-N

Smiles

CN(C)CCC=C1c2oc3ccccc3c2COc4ccccc14

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.540 (none)   EST
Atmospheric OH Rate Constant 2.54E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.