2-[(1R)-3-{bis[(1,1,1,2,3,3,3-²H?)propan-2-yl]amino}-1-phenylpropyl]-4-methylphenol hydrochloride

CAS: 1246816-99-8

Formula: C22H32ClNO

SMILES: Cl.[2H]C([2H])([2H])C([2H])(N(CC[C@H](C1=CC=CC=C1)C1=CC(C)=CC=C1O)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]

IUPAC: 2-[(1R)-3-{bis[(1,1,1,2,3,3,3-²H?)propan-2-yl]amino}-1-phenylpropyl]-4-methylphenol hydrochloride

InChI: InChI=1S/C22H31NO.ClH/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;/h6-12,15-17,20,24H,13-14H2,1-5H3;1H/t20-;/m1./s1/i1D3,2D3,3D3,4D3,16D,17D;

Composition: C (70.27%), H (4.83%), [2H] (7.50%), Cl (9.43%), N (3.72%), O (4.25%)

Molar Mass: 376.04

Atom Count: 57

Heavy Atom Count: 25