Dedihydroxy Dichloroganciclovir - CAS 441349-85-5
Catalog: |
BB062713 |
Product Name: |
Dedihydroxy Dichloroganciclovir |
CAS: |
441349-85-5 |
Synonyms: |
2-Amino-9-[[2-chloro-1-(chloromethyl)ethoxy]methyl]-1,9-dihydro-6H-purin-6-one; 2-Amino-9-(((1,3-dichloropropan-2-yl)oxy)methyl)-3H-purin-6(9H)-one |
IUPAC Name: | 2-amino-9-(1,3-dichloropropan-2-yloxymethyl)-1H-purin-6-one |
Description: | Dedihydroxy Dichloroganciclovir is an intermediate in the synthesis of the anit-viral medicine Ganciclovir (G235000). |
Molecular Weight: | 292.12 |
Molecular Formula: | C9H11Cl2N5O2 |
Canonical SMILES: | C1=NC2=C(N1COC(CCl)CCl)N=C(NC2=O)N |
InChI: | InChI=1S/C9H11Cl2N5O2/c10-1-5(2-11)18-4-16-3-13-6-7(16)14-9(12)15-8(6)17/h3,5H,1-2,4H2,(H3,12,14,15,17) |
InChI Key: | GYWLSXDKTRNXND-UHFFFAOYSA-N |
References: | Halloran, P.J. and Fenton, R.G. Cancer Res., 58, 3855 (1998); Rubsam, L.Z., et al. Cancer Res., 59, 669 (1999); Yamasaki, H., et al. C.R. Acad. Sci. III, 322, 151 (1999). |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.02898 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.02898 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 94.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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