U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO3.ClH
Molecular Weight 347.836
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEBAINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12OC3=C4C(C[C@@]5([H])N(C)CC[C@@]14C5=CC=C2OC)=CC=C3OC

InChI

InChIKey=KTFNLKDWNNDGLZ-JFYDKBSOSA-N
InChI=1S/C19H21NO3.ClH/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;1H/t13-,18+,19+;/m1./s1

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
5.6 µM [EC50]