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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO3.C2H2O4.H2O
Molecular Weight 419.4251
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEBAINE OXALATE MONOHYDRATE

SMILES

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

InChI

InChIKey=LMZYFGOYYLQNRI-GBTORLPQSA-N
InChI=1S/C19H21NO3.C2H2O4.H2O/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;3-1(4)2(5)6;/h4-7,13,18H,8-10H2,1-3H3;(H,3,4)(H,5,6);1H2/t13-,18+,19+;;/m1../s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
5.6 µM [EC50]
Name Type Language
THEBAINE OXALATE MONOHYDRATE
Common Name English
MORPHINAN, 6,7,8,14-TETRADEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, (5.ALPHA.)-, ETHANEDIOATE (1:1), MONOHYDRATE
Systematic Name English
THEBAINE OXALATE MONOHYDRATE SALT
Common Name English
Code System Code Type Description
PUBCHEM
121596602
Created by admin on Sat Dec 16 10:41:23 GMT 2023 , Edited by admin on Sat Dec 16 10:41:23 GMT 2023
PRIMARY
FDA UNII
V3ONN2T0PG
Created by admin on Sat Dec 16 10:41:23 GMT 2023 , Edited by admin on Sat Dec 16 10:41:23 GMT 2023
PRIMARY
CAS
6043-89-6
Created by admin on Sat Dec 16 10:41:23 GMT 2023 , Edited by admin on Sat Dec 16 10:41:23 GMT 2023
PRIMARY