Valacyclovir hydrochloride dihydrate[盐酸伐昔洛韦二水合物]

502421-45-6

CAS Name

L-Valine, 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester, hydrochloride, hydrate (1:1:2)

Molecular Formula

C₁₃H₂₀N₆O₄.ClH.2H₂O

Other Names and Identifiers

InChI

InChI=1S/C13H20N6O4.ClH.2H2O/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;;;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H;2*1H2/t8-;;;/m0…/s1

InChIKey

InChIKey=QMVFKSCLPIIINF-CZDIJEQGSA-N

SMILES

C(OCCOC([C@H](C(C)C)N)=O)N1C2=C(N=C1)C(=O)N=C(N)N2.Cl.O

Canonical SMILES

Cl.O=C1N=C(N)NC2=C1N=CN2COCCOC(=O)C(N)C(C)C.O

Other Names for this Substance