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184475-35-2

Basic Information
CAS No.: 184475-35-2
Name: Gefitinib
Molecular Structure:
Molecular Structure of 184475-35-2 (Gefitinib)
Formula: C22H24ClFN4O3
Molecular Weight: 446.90 .
Synonyms: N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;ZD1839;4-(3-Chloro-4-fluoroanilino)-7-methoxy-6-(3-morpholinopropoxy)quinazoline;Irressat;Gefitinib (JAN/USAN);4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-(4-morpholinyl)propoxy)-;ZD 1839;4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-;
EINECS: 643-034-7
Density: 1.322 g/cm3
Melting Point: 119-120 °C
Boiling Point: 586.8 °C at 760 mmHg
Flash Point: 308.7 °C
Solubility:
Appearance: light-yellow crystalline powder
Hazard Symbols: Xi
Risk Codes: R36/37/38
Safety: 24/25
Transport Information:
PSA: 68.74000
LogP: 4.28650
Downstream Products
847949-49-9
199327-61-2
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Specification

1. Introduction of Gefitinib

Gefitinib is an light-yellow crystalline Powder. With the IUPAC Name of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy) quinazolin-4-amine, it belongs to the Product Categories which include Active Pharmaceutical Ingredients; Gefitinib; Molecular Targeted Antineoplastic; Intermediates & Fine Chemicals; Pharmaceuticals; Pharmaceutical intermediate. Gefitinib is a drug used in the treatment of certain types of cancer.

2. Properties of Gefitinib

Gefitinib has the following datas: (1)Molar Volume: 337.7 cm3; (2)Polarizability: 47.09×10-24cm3; (3)Surface Tension: 55.2 dyne/cm; (4)Density: 1.322 g/cm3; (5)Flash Point: 308.7 °C; (6)Enthalpy of Vaporization: 87.63 kJ/mol; (7)Melting Point: 119-120 °C; (8)Boiling Point: 586.8 °C at 760 mmHg; (9)Vapour Pressure: 9.48E-14 mmHg at 25°C.

3. Structure Descriptors of Gefitinib

You could convert the following datas into the molecular structure:
(1).Canonical SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4
(2).InChI: InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
(3).InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N

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