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| CAS No.: | 1042385-75-0 |
|---|---|
| Name: | PF-00299804 |
| Molecular Structure: | |
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| Formula: | C24H25Cl FN5O2·H2O |
| Molecular Weight: | 487.95 |
| Synonyms: | 2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-, hydrate (1:1), (2E)-;(2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide monohydrate;(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide, hydrate (1:1); |
| PSA: | 92.10000 |
| LogP: | 5.75120 |
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- Total:31 Page 1 of 1 1
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Specification
The Dacomitinib, with the CAS registry number 1042385-75-0, is also known as (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide monohydrate. This chemical's molecular formula is C24H25Cl FN5O2·H2O and molecular weight is 487.95. What's more, its systematic name is (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-4-(1-piperidyl)but-2-enamide hydrate.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F.O
(2)Std. InChI: InChI=1S/C24H25ClFN5O2.H2O/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31;/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29);1H2/b6-5+;
(3)Std. InChIKey: BSPLGGCPNTZPIH-IPZCTEOASA-N