Neratinib

CAS Registry Number®

698387-09-6

CAS Name

Neratinib

Molecular Formula

C30H29ClN6O3

Molecular Mass

557.04

Cite this Page

Neratinib.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=698387-09-6 (retrieved 2024-11-21) (CAS RN: 698387-09-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    182-184 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+

InChIKey

InChIKey=JWNPDZNEKVCWMY-VQHVLOKHSA-N

SMILES

N(C=1C2=C(C=C(OCC)C(NC(/C=C/CN(C)C)=O)=C2)N=CC1C#N)C3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3

Canonical SMILES

N#CC1=CN=C2C=C(OCC)C(=CC2=C1NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3)NC(=O)C=CCN(C)C

Other Names for this Substance

  • 2-Butenamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2E)-
  • (2E)-N-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
  • HKI 272
  • (E)-N-[4-[3-Chloro-4-[(2-pyridinyl)methoxy]anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
  • Neratinib

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Deleted or Replaced CAS Registry Numbers

736156-77-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration