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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO3
Molecular Weight 311.3749
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTHEBAINE

SMILES

[H][C@]12CC3=C(C(OC)=CC=C3)C4=C1C(CCN2C)=CC(OC)=C4O

InChI

InChIKey=RQCOQZNIQLKGTN-ZDUSSCGKSA-N
InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H21NO3
Molecular Weight 311.3749
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Record UNII
60CJ5Z6JA4
Record Status Validated (UNII)
Record Version