Erlotinib hydrochloride

Chemical Information
Erlotinib Hydrochloride is the hydrochloride salt of a quinazoline derivative with antineoplastic properties. Competing with adenosine triphosphate, erlotinib reversibly binds to the intracellular catalytic domain of epidermal growth factor receptor (EGFR) tyrosine kinase, thereby reversibly inhibiting EGFR phosphorylation and blocking the signal transduction events and tumorigenic effects associated with EGFR activation.
| CAS Number | 183319-69-9 |
| PubChem CID | 176871 |
| IUPAC Name | N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride |
| Molecular Formula | C22H24ClN3O4 |
| Molecular Weight | 429.9 |
| Topological Polar Surface Area | 74.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 525 |
| Property | Value |
|---|---|
| Molecular Weight | 429.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 429.1455339 |
| Monoisotopic Mass | 429.1455339 |
| Topological Polar Surface Area | 74.7 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 525 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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