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Substance Name: Oxetorone fumarate [USAN]
RN: 34522-46-8
UNII: 5SYZ8I05SH
InChIKey: DQHRYCOJUKGIDH-WLHGVMLRSA-N

Classification Codes

  • Analgesic (Specific in Migraine)
  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C21-H21-N-O2.C4-H4-O4

Molecular Weight

  • 435.4735
 
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Names and Synonyms

Name of Substance

  • Oxetorone fumarate
  • Oxetorone fumarate [USAN]

Synonyms

  • 1-Propanamine, 3-benzofuro(3,2-c)(1)benzoxepin-6(12H)-ylidene-N,N-dimethyl-, (E)-2-butenedioate (1:1)
  • L 6257
  • L-6257
  • N,N-Dimethylbenzofuro(3,2-c)(1)benzoxepin-delta(sup 6(12H),gamma)-propylamine fumarate (1:1)
  • Nocertone
  • Oxetorone fumarate
  • Oxetorone hydrogenfumarat
  • UNII-5SYZ8I05SH

Systematic Name

  • 1-Propanamine, 3-benzofuro(3,2-c)(1)benzoxepin-6(12H)-ylidene-N,N-dimethyl-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 34522-46-8

FDA UNII

  • 5SYZ8I05SH

System Generated Number

  • 0034522468

Molecular Formulas

Molecular Formula

  • C21-H21-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C21-H21-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21NO2.C4H4O4/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;5-3(6)1-2-4(7)8/h3-6,8-12H,7,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

DQHRYCOJUKGIDH-WLHGVMLRSA-N

Smiles

CN(C)CCC=C1c2oc3ccccc3c2COc4ccccc14.OC(=O)\C=C\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 475mg/kg (475mg/kg)   French Demande Patent Document. Vol. #2418649,
women TDLo oral 40mg/kg (40mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: COMA

CARDIAC: CHANGE IN RATE
Journal of Toxicology, Clinical Toxicology. Vol. 28, Pg. 111, 1990.