Cetirizine 6,6'-O-Lactose Ester Dihydrochloride (6,6'-Mixture) (>90%)

Analyte Name

Cetirizine 6,6'-O-Lactose Ester Dihydrochloride (6,6'-Mixture)

Molecular Formula

C33H45ClN2O13 • 2(HCl)

Molecular Weight

713.1723646

Accurate Mass

1496.48

SMILES

ClC1=CC=C(C(C2=CC=CC=C2)N3CCN(CCOCC(OC[C@H]4O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@H]4O)=O)CC3)C=C1.ClC6=CC=C(C(C7=CC=CC=C7)N8CCN(CCOCC(OC[C@H]9O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]9O[C@H]%10[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O%10)=O)CC8)C=C6.Cl.Cl

InChI

InChI=1S/2C33H45ClN2O13.2ClH/c34-21-8-6-20(7-9-21)25(19-4-2-1-3-5-19)36-12-10-35(11-13-36)14-15-45-18-24(38)46-17-23-26(39)27(40)30(43)33(48-23)49-31-22(16-37)47-32(44)29(42)28(31)41;34-21-8-6-20(7-9-21)25(19-4-2-1-3-5-19)36-12-10-35(11-13-36)14-15-45-18-24(38)46-17-23-31(28(41)29(42)32(44)47-23)49-33-30(43)27(40)26(39)22(16-37)48-33;;/h2*1-9,22-23,25-33,37,39-44H,10-18H2;2*1H/t2*22-,23-,25?,26+,27+,28-,29-,30-,31-,32-,33+;;/m11../s1

IUPAC

((2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(((2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl 2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetate--((2R,3S,4R,5R,6R)-4,5,6-trihydroxy-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl 2-(2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)ethoxy)acetate (1/1) dihydrochloride

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat