Valganciclovir N3,N3'-Methylene Dimer (>90%)

Analyte Name

Valganciclovir N3,N3'-Methylene Dimer

CAS Number

1401661-96-8

Molecular Formula

C29 H44 N12 O10

Molecular Weight

720.7341

Accurate Mass

720.3303

SMILES

CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2C(=O)N=C(NCNC3=NC(=O)c4ncn(COC(CO)COC(=O)[C@@H](N)C(C)C)c4N3)Nc12

InChI

InChI=1S/C29H44N12O10/c1-14(2)18(30)26(46)48-7-16(5-42)50-12-40-10-34-20-22(40)36-28(38-24(20)44)32-9-33-29-37-23-21(25(45)39-29)35-11-41(23)13-51-17(6-43)8-49-27(47)19(31)15(3)4/h10-11,14-19,42-43H,5-9,12-13,30-31H2,1-4H3,(H2,32,36,38,44)(H2,33,37,39,45)/t16?,17?,18-,19-/m0/s1

IUPAC

[2-[[2-[[[9-[[1-[(2S)-2-amino-3-methylbutanoyl]oxy-3-hydroxypropan-2-yl]oxymethyl]-6-oxo-3H-purin-2-yl]amino]methylamino]-6-oxo-3H-purin-9-yl]methoxy]-3-hydroxypropyl] (2S)-2-amino-3-methylbutanoate

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Valganciclovir Hydrochloride; Valganciclovir