Molecule Info: E-doxepin
Smiles:
C[NH+](CC/C=C\1/c2ccccc2OCc2c1cccc2)C
Netcharge:
1
InChIKey:
ODQWQRRAPPTVAG-KPGOCCIINA-O
InChI:
1/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/p+1/b17-11+/fC19H22NO/h20H/q+1
InChIcol:
1
More information (from its Standard Form):
E-doxepin
Complex structures in which this molecule appears :
Complex Structure ID: 107
References in which this molecule is mentioned:
Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.
Image of the Specific State
