Tenofovir hydrate[替诺福韦水合物]

206184-49-8

CAS Name

Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, hydrate (1:1)

Molecular Formula

C₉H₁₄N₅O₄P.H₂O

Other Names and Identifiers

InChI

InChI=1S/C9H14N5O4P.H2O/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14;/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17);1H2/t6-;/m1./s1

InChIKey

InChIKey=PINIEAOMWQJGBW-FYZOBXCZSA-N

SMILES

C([C@H](OCP(=O)(O)O)C)N1C=2C(N=C1)=C(N)N=CN2.O

Canonical SMILES

O=P(O)(O)COC(C)CN1C=NC=2C(=NC=NC21)N.O

Other Names for this Substance