Phthalazine-1-carboxamide - CAS 170940-78-0
Catalog: |
BB076552 |
Product Name: |
Phthalazine-1-carboxamide |
CAS: |
170940-78-0 |
Synonyms: |
Phthalazine-1-carboxamide |
IUPAC Name: | phthalazine-1-carboxamide |
Description: | Phthalazine-1-carboxamide is a building block of Favipiravir (F103350). Favipiravir is used for the treatment of advanced Ebola virus infection in a small animal models. |
Molecular Weight: | 173.17 |
Molecular Formula: | C9H7N3O |
Canonical SMILES: | C1=CC=C2C(=C1)C=NN=C2C(=O)N |
InChI: | InChI=1S/C9H7N3O/c10-9(13)8-7-4-2-1-3-6(7)5-11-12-8/h1-5H,(H2,10,13) |
InChI Key: | ZPKLKCZILZRALT-UHFFFAOYSA-N |
References: | Oestereich, L., et al. Antiviral Res., 105, 17 (2014); Baranovich, T., et al. J. Virol. 87, 3741 (2013); Chem. and Eng. News p.8, Dec. 1 (2014). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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