1-{5-hydroxy-2-[2-hydroxy-3-(propylamino)(1,1,2,3,3-²H?)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride

CAS: 1215370-87-8

Formula: C21H28ClNO4

SMILES: Cl.[2H]C([2H])(NCCC)C([2H])(O)C([2H])([2H])OC1=C(C=C(O)C=C1)C(=O)CCC1=CC=CC=C1

IUPAC: 1-{5-hydroxy-2-[2-hydroxy-3-(propylamino)(1,1,2,3,3-²H?)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride

InChI: InChI=1/C21H27NO4.ClH/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16;/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3;1H/i14D2,15D2,18D;

Composition: C (63.23%), H (5.81%), [2H] (2.52%), Cl (8.89%), N (3.51%), O (16.04%)

Molar Mass: 398.94

Atom Count: 55

Heavy Atom Count: 27