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Neratinib

CAS 698387-09-6C30H29ClN6O3MW 557.0

Neratinib (CAS 698387-09-6) — formula C30H29ClN6O3, molecular weight 557.0; category organic chemicals.

Product Overview

CAS Number698387-09-6
Molecular FormulaC30H29ClN6O3
Molecular Weight557.0
LogP4.9
CategoryOrganic Chemicals

Technical Profile

What this product is

Neratinib is a carbon-based organic compound with CAS registry number 698387-09-6 and molecular formula C30H29ClN6O3 (molecular weight 557.0), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 698387-09-6

Its molecular formula C30H29ClN6O3 comprises 30 C, 29 H, 1 Cl, 6 N, 3 O atoms.

Also known as: Neratinib · 来那替尼

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Neratinib?

The CAS registry number of Neratinib is 698387-09-6.

What is the molecular formula and molecular weight of Neratinib?

Molecular formula C30H29ClN6O3, molecular weight 557.0.

What other names is Neratinib known by?

It is also registered under: Neratinib, 来那替尼.

Which category does Neratinib belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Neratinib (CAS 698387-09-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number698387-09-6
PubChem CID9915743
Molecular formulaC30H29ClN6O3
IUPAC name(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
UNII (FDA)JJH94R3PWB

Computed descriptors

Molecular Weight557.0
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass556.1989665
Monoisotopic Mass556.1989665
Topological Polar Surface Area112
Heavy Atom Count40

Documented uses on record

    For use as an extended adjuvant treatment in adult patients with early stage HER2-overexpressed/amplified breast cancer, to follow adjuvant trastuzumab-based therapy.Neratinib is an orally available tyrosine kinase receptor inhibitor that is used in the extended adjuvant therapy of early stage breast cancer. Neratinib is associated with a low rate of transient elevations in serum aminotransferase levels during therapy, but has not been convincingly linked to cases of clinically apparent liver injury with jaundice.

    Synonyms and trade names

    Neratinib; 698387-09-6; HKI-272; HKI 272; JJH94R3PWB; PB-272; CHEBI:61397; CDP-820; PB 272; HKI272; DTXSID70220132; N-(4-(3-Chloro-4-(2-pyridinylmethoxy)anilino)-3-cyano-7-ethoxy-6-quinolyl)-4-(dimethylamino)-2-butenamide; neratinibum; RefChem:56993; DTXCID70142623; L10XE45

    Regulatory listings held on file

    GHS notification summary20% (1 / 5)

    GHS hazard classification

    GHS notification summary20% (1 / 5)
    Reported hazard statementsH302 (40%), H312 (40%), H315 (40%), H319 (40%), H332 (40%), H335 (20%), H360 (40%)

    This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

    H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

    What the public record says

    Neratinib · CAS 698387-09-6 · C30H29ClN6O3. UNII JJH94R3PWB.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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