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Substance Name: Thebainone
RN: 467-98-1
UNII: 410TP47E6I
InChIKey: SLJDAVMWFVYEFI-IYOUNJFTSA-N

Molecular Weight

  • 299.3679
 
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Names and Synonyms

Name of Substance

  • Thebainone

Synonyms

  • Thebainone
  • Thebainone A
  • UNII-410TP47E6I

Registry Numbers

CAS Registry Number

  • 467-98-1

FDA UNII

  • 410TP47E6I

System Generated Number

  • 0000467981

Structure Descriptors

InChI

1S/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3/t13-,14+,18-/m0/s1

InChIKey

SLJDAVMWFVYEFI-IYOUNJFTSA-N

Smiles

COc1ccc2C[C@@H]3[C@@H]4C=CC(=O)C[C@]4(CCN3C)c2c1O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 151.5 deg C   EXP
log P (octanol-water) 1.260 (none)   EST
Water Solubility 4000 mg/L 20 EXP
Atmospheric OH Rate Constant 2.49E-10 cm3/molecule-sec 25 EST

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