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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO3
Molecular Weight 311.3749
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Thebaine

SMILES

COC1=CC=C2[C@H]3CC4=CC=C(OC)C5=C4[C@@]2(CCN3C)[C@H]1O5

InChI

InChIKey=FQXXSQDCDRQNQE-VMDGZTHMSA-N
InChI=1S/C19H21NO3/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/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149,124

Targets

Primary TargetPharmacologyConditionPotency
Mu opioid receptor
231
Partial Agonist
297
 5.6 µM [EC50]
SALT/SOLVATE (PARENT)
Structure of THEBAINE SALICYLATE
SALT/SOLVATE (PARENT)
Structure of THEBAINE TARTRATE
NIH
NCATS
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