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Substance Name: Dihydrothebaine
RN: 561-25-1
UNII: 3F3XDX43PO
InChIKey: XJZOLKDBHJPTAT-ATNYCFDYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N-O3

Molecular Weight

  • 313.3947
 
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Names and Synonyms

Results Name

  • Dihydrothebaine

Name of Substance

  • 8,14-Dihydrothebaine

Synonyms

  • (5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinen
  • (5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinen [IUPAC]
  • 4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6-morphinen
  • 8,14-Dihydrothebaine
  • delta(sup 6)-Dihydrothebaine
  • Dihydrothebaine
  • EINECS 209-216-1
  • UNII-3F3XDX43PO

Systematic Names

  • (5alpha)-6,7-Didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
  • Morphinan, 6,7-didehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl- (8CI)
  • Morphinan, 6,7-didehydro-4,5-epoxy-3,6-dimethoxy-17-methyl- (5-alpha,14-xi)- (9CI)
  • Thebaine, dihydro-

Registry Numbers

CAS Registry Number

  • 561-25-1

FDA UNII

  • 3F3XDX43PO

Other Registry Numbers

  • 1385-04-2
  • 57281-79-5

System Generated Number

  • 0000561251

Structure Descriptors

InChI

1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4,6-7,12-13,18H,5,8-10H2,1-3H3/t12-,13+,18-,19-/m0/s1

InChIKey

XJZOLKDBHJPTAT-ATNYCFDYSA-N

Smiles

COC1=CC[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 96mg/kg (96mg/kg)   "Public Health Reports, Supplement." Vol. 138, Pg. 28, 1938.