Dacomitinib

CAS Registry Number®

1110813-31-4

CAS Name

Dacomitinib

Molecular Formula

C24H25ClFN5O2

Molecular Mass

469.94

Cite this Page

Dacomitinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1110813-31-4 (retrieved 2024-11-21) (CAS RN: 1110813-31-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    149-151 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+

InChIKey

InChIKey=LVXJQMNHJWSHET-AATRIKPKSA-N

SMILES

N(C=1C2=C(C=C(OC)C(NC(/C=C/CN3CCCCC3)=O)=C2)N=CN1)C4=CC(Cl)=C(F)C=C4

Canonical SMILES

O=C(C=CCN1CCCCC1)NC2=CC=3C(=NC=NC3NC4=CC=C(F)C(Cl)=C4)C=C2OC

Other Names for this Substance

  • 2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-, (2E)-
  • (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
  • Dacomitinib
  • PF 00299804
  • PF 299804

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Deleted or Replaced CAS Registry Numbers

1006885-28-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration