Diacetyl guanine - CAS 3056-33-5
Catalog: |
BB020642 |
Product Name: |
Diacetyl guanine |
CAS: |
3056-33-5 |
Synonyms: |
N2,9-Diacetylguanine; N,9-Diacetylguanine; N(2),9-Diacetylguanine; 2,9-Diacetylguanine |
IUPAC Name: | N-(9-acetyl-6-oxo-1H-purin-2-yl)acetamide |
Description: | An impurity of Acyclovir. Acyclovir is an antiviral drug used for the treatment of infections caused by herpes simplex virus and herpes zoster virus. It acts via inhibiting the production of virus' DNA. |
Molecular Weight: | 235.20 |
Molecular Formula: | C9H9N5O3 |
Canonical SMILES: | CC(=O)NC1=NC2=C(C(=O)N1)N=CN2C(=O)C |
InChI: | InChI=1S/C9H9N5O3/c1-4(15)11-9-12-7-6(8(17)13-9)10-3-14(7)5(2)16/h3H,1-2H3,(H2,11,12,13,15,17) |
InChI Key: | GILZZWCROUGLIS-UHFFFAOYSA-N |
Density: | 1.67 g/cm3 |
MDL: | MFCD00142116 |
LogP: | -0.18890 |
GHS Hazard Statement: | H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214260-A | Synthesis method of 2-acetamido-9-acetyl purine | 20210510 |
CN-113292564-A | Synthetic method of 2-amino-6-chloropurine | 20210510 |
CN-111777611-A | Preparation method of acyclovir intermediate N (2), 9-diacetylguanine | 20200817 |
CN-111892047-A | Vanadium nitride hybrid and nitrogen-doped porous carbon material and preparation method and application thereof | 20200525 |
WO-2020029647-A1 | Method for synthesizing nucleoside compound and intermediate thereof | 20180807 |
PMID | Publication Date | Title | Journal |
22832875 | 20120725 | Synthesis of 9,9'-[1,2-ethanediylbis(oxymethylene)]bis-2-amino-1,9-dihydro-6H-purin-6-one, an impurity of acyclovir | Molecules (Basel, Switzerland) |
Complexity: | 419 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.07053917 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.07053917 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 105 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS