- Gefitinib
- Gefitinib dihydrochloride
- Gefitinib hydrochloride
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| Name |
Gefitinib hydrochloride |
EINECS | 1533716-785-6 |
| CAS No. | 184475-55-6 | Density | N/A |
| PSA | 68.74000 | LogP | 5.08850 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H24ClFN4O3.HCl | Boiling Point | 607.7 °C at 760 mmHg |
| Molecular Weight | 483.37 | Flash Point | 321.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Quinazolinamine,N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-,monohydrochloride (9CI);Gefitinib hydrochloride;4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride; |
Gefitinib hydrochloride Specification
The systematic name of Gefitinib hydrochloride is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine hydrochloride. With the CAS registry number 184475-55-6, it is also named as 4-(3-Chloro-4-fluorophenylamino)-7-methoxy-6-[3-(4-morpholinyl)propoxy]quinazoline hydrochloride. In addition, its molecular formula is C22H24ClFN4O3.HCl and molecular weight is 483.37.
The other characteristics of Gefitinib hydrochloride can be summarized as: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 68.74 Å2; (7)Flash Point: 321.3 °C; (8)Enthalpy of Vaporization: 91.96 kJ/mol; (9)Boiling Point: 607.7 °C at 760 mmHg; (10)Vapour Pressure: 4.9E-15 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.Fc1ccc(cc1Cl)Nc2ncnc3cc(OC)c(cc23)OCCCN4CCOCC4
(2)InChI: InChI=1/C22H24ClFN4O3.ClH/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);1H
(3)InChIKey: QUINXWLATMJDQF-UHFFFAOYAU
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