rac Zosuquidar-d5 Trihydrochloride

Analyte Name

rac Zosuquidar-d5 Trihydrochloride

Molecular Formula

C32H29D5Cl3F2N3O2

Molecular Weight

642.02

Accurate Mass

640.2

SMILES

FC1([C@@H]2[C@H]1C3=C(C=CC=C3)[C@@H](N4CCN(C([2H])([2H])C(O)([2H])C([2H])([2H])OC5=C(C=CC=N6)C6=CC=C5)CC4)C7=C2C=CC=C7)F.Cl.Cl.Cl

InChI

InChI=1S/C32H31F2N3O2.3ClH/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27;;;/h1-14,21,29-31,38H,15-20H2;3*1H/t21?,29-,30+,31-;;;/i19D2,20D2,21D;;;

IUPAC

1-(4-((1aR,6r,10bS)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl)piperazin-1-yl)-3-(quinolin-5-yloxy)propan-1,1,2,3,3-d5-2-ol trihydrochloride

Unlabelled CAS Number

167465-36-3 (R-OH)

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat