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Substance Name: Thebacon [INN:BAN:DCF]
RN: 466-90-0
UNII: 520D430GDK
InChIKey: RRJQTGHQFYTZOW-ILWKUFEGSA-N

Molecular Formula

  • C20-H23-N-O4

Molecular Weight

  • 341.4047
 

Classification Codes

Classification Codes

  • Antitussive
  • Drug / Therapeutic Agent
  • Human Data

Superlist Classification Code

  • DEA Schedule I
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Names and Synonyms

Name of Substance

  • Thebacon [INN:BAN:DCF]

Synonyms

  • 4-27-00-02218 (Beilstein Handbook Reference)
  • Acedicon
  • Acedikon
  • Acedikon [Czech]
  • Acetyldihydrocodeinone
  • Acetyldihydrokodeinon
  • Acetyldihydrokodeinon [Czech]
  • BRN 0056871
  • Demethyldihydrothebaine, acetate
  • Dihydrocodeinone enol acetate
  • EINECS 207-377-2
  • NSC 117860
  • Tebacon
  • Tebacona
  • Tebacona [INN-Spanish]
  • Tebacone
  • Tebacone [DCIT]
  • Thebacon
  • Thebacone
  • Thebacone [INN-French]
  • Thebaconum
  • Thebaconum [INN-Latin]
  • Thebaine, demethyldihydro-, acetate
  • UNII-520D430GDK

Systematic Names

  • Acetyldihydrocodeinone
  • Morphinan-6-ol, 6,7-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, acetate
  • Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5alpha)- (9CI)
  • Morphinan-6-ol, 6,7-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-, acetate (ester) (8CI)
  • Thebacon

Superlist Names

  • DEA No. 9315
  • Thebacetyl
  • Thebacon

Registry Numbers

CAS Registry Number

  • 466-90-0

FDA UNII

  • 520D430GDK

System Generated Number

  • 0000466900

Structure Descriptors

InChI

1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6-7,13-14,19H,5,8-10H2,1-3H3/t13-,14+,19-,20-/m0/s1

InChIKey

RRJQTGHQFYTZOW-ILWKUFEGSA-N

Smiles

COc1ccc2C[C@@H]3[C@@H]4CC=C(OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 1400mg/kg (1400mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Revue Medicale de Liege. Vol. 13, Pg. 7, 1958.
mouse LD50 subcutaneous 81mg/kg (81mg/kg)   "Public Health Reports, Supplement." Vol. 138, Pg. 28, 1938.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 133 dec deg C   EXP
log P (octanol-water) 2.410 (none)   EST
Atmospheric OH Rate Constant 2.05E-10 cm3/molecule-sec 25 EST

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