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Neratinib

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Neratinib / CAS : 698387-09-6

Appearance Light yellow to yellow crystalline powder UN 0.0
HS 0###29334900 DG Class 0.0
Synonyms (2E)-N-[4-[[3-Chloro-4-[(Pyridin-2-Yl)Methoxy]Phenyl]Amino]-3-Cyano-7-Ethoxyquinolin-6-Yl]-4-(Dimethylamino)But-2-Enamide; (E)-N-[4-[3-Chloro-4-(Pyridin-2-Ylmethoxy)Anilino]-3-Cyano-7-Ethoxyquinolin-6-Yl]-4-(Dimethylamino)But-2-Enamide; Hki 272; (E)-N-{4-[3-Chloro-4-(2-Pyridinylmethoxy)Anilino]-3-Cyano-7-Ethoxy-6-Quinolinyl}-4-(Dimethylamino)-2-Butenamide Free Base; S2150_Selleck; Neratinib(Hki-272); (E)-N-{4-[3-Chloro-4-(2-Pyridinylmethoxy)Anilino]-3-Cyano-7-Ethoxy-6-Quinolinyl}-4-(Dimethylamino)-2-Butenamide; [2H]-Neratinib; (E)-N-(4-(3-Chloro-4-(Pyridin-2-Ylmethoxy)Phenylamino)-3-Cyano-7-Ethoxyquinolin-6-Yl)-4-(Dimethylamino)But-2-Enamide; (2E)-N-[4-[[3-Chloro-4-(2-Pyridinylmethoxy)Phenyl]Amino]-3-Cyano-7-Ethoxy-6-Quinolinyl]-4-(Dimethylamino)-2-Butenamide; (E)-N-[4-[3-Chloro-4-[(2-Pyridinyl)Methoxy]Anilino]-3-Cyano-7-Ethoxy-6-Quinolinyl]-4-(Dimethylamino)-2-Butenamide; N-(4-(3-Chloro-4-(2-Pyridinylmethoxy)Anilino)-3-Cyano-7-Ethoxy-6-Quinolyl)-4-(Dimethylamino)-2-Butenamide; Unii-Jjh94R3Pwb; Hki-272; Hki272
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Properties

Summary

Formula
C30H29ClN6O3
Molecular Mass
557.04300
Exact Mass
556.19900
PSA
112.40000
Logp
6.07848
IUPAC
(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Antineoplastic Agents

Chemical and Physical Properties

Density
1.337 g/cm3
Boiling Point
756.97ºC at 760 mmHg
Flash Point
411.60ºC
Appearance
Light yellow to yellow crystalline powder
Acidity and Basicity
acidness

Export information

HS Code
0###29334900
UN No.
0.0
DG-Class
0.0

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