O-Methylganciclovir - CAS 108436-45-9
Catalog: |
BB059996 |
Product Name: |
O-Methylganciclovir |
CAS: |
108436-45-9 |
Synonyms: |
2-Amino-1,9-dihydro-9-[[2-hydroxy-1-(methoxymethyl)ethoxy]methyl]-6H-purin-6-one; 2-Amino-9-(((1-hydroxy-3-methoxypropan-2-yl)oxy)methyl)-3H-purin-6(9H)-one |
IUPAC Name: | 2-amino-9-[(1-hydroxy-3-methoxypropan-2-yl)oxymethyl]-1H-purin-6-one |
Description: | O-Methylganciclovir is an analogue of Ganciclovir (G235000) and displays excellent antiviral activity when tested in vivo against herpes simplex virus type 1 infection in mice. |
Molecular Weight: | 269.26 |
Molecular Formula: | C10H15N5O4 |
Canonical SMILES: | COCC(CO)OCN1C=NC2=C1N=C(NC2=O)N |
InChI: | InChI=1S/C10H15N5O4/c1-18-3-6(2-16)19-5-15-4-12-7-8(15)13-10(11)14-9(7)17/h4,6,16H,2-3,5H2,1H3,(H3,11,13,14,17) |
InChI Key: | CVWDOLKVWKFQDM-UHFFFAOYSA-N |
References: | Winkelmann, E., et. al. Arzneimittel-Forsch, 38, 1545 (1988). |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.11240398 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.11240398 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 124Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2 |
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