Neratinib (CAS 698387-09-6) — formula C30H29ClN6O3, molecular weight 557.0; category organic chemicals.
| CAS Number | 698387-09-6 |
|---|---|
| Molecular Formula | C30H29ClN6O3 |
| Molecular Weight | 557.0 |
| LogP | 4.9 |
| Category | Organic Chemicals |
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.
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
The CAS registry number of Neratinib is 698387-09-6.
Molecular formula C30H29ClN6O3, molecular weight 557.0.
It is also registered under: Neratinib, 来那替尼.
Category: Organic Chemicals.
Independent reference data for Neratinib (CAS 698387-09-6), compiled from public chemistry databases.
| CAS Registry Number | 698387-09-6 |
|---|---|
| PubChem CID | 9915743 |
| Molecular formula | C30H29ClN6O3 |
| 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 |
| Molecular Weight | 557.0 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 556.1989665 |
| Monoisotopic Mass | 556.1989665 |
| Topological Polar Surface Area | 112 |
| Heavy Atom Count | 40 |
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
| GHS notification summary | 20% (1 / 5) |
|---|
| GHS notification summary | 20% (1 / 5) |
|---|---|
| Reported hazard statements | H302 (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]
Neratinib · CAS 698387-09-6 · C30H29ClN6O3. UNII JJH94R3PWB.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 来那替尼