API reference

Dacomitinib

CAS number
1110813-31-4
Molecular formula
C24H25ClFN5O2
Molecular weight
469.9 g/mol
Dacomitinib — 2D structure
2D structure (PubChem)

About this molecule

Dacomitinib is a member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group. It has a role as an antineoplastic agent and an epidermal growth factor receptor antagonist. It is a secondary carboxamide, a member of piperidines, a member of quinazolines, a secondary amino compound, a tertiary amino compound, an enamide, a member of monochlorobenzenes and a member of monofluorobenzenes.

Source: ChEBI, via PubChem.

Identifiers

IUPAC name
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
InChIKey
LVXJQMNHJWSHET-AATRIKPKSA-N
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4
Other CAS numbers recorded
1042385-75-0
PubChem CID
11511120

Also known as

Dacomitinib · Dacomitinib anhydrous · dacomitinibum · Vizimpro · L01XE47 · Dacomitinib (INN) · C24H25ClFN5O2 · PF299

Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.

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