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Nintedanib Demethyl-O-glucuronic Acid, TRC
Specifications
Specifications
| Kemisk navn eller materiale | Nintedanib Demethyl-O-glucuronic Acid |
| CAS | 1352789-50-4 |
| Molekylær formel | C36 H39 N5 O10 |
| Mængde | 2.5 mg |
| Synonym | Nintedanib Metabolite M2 |
| InChI formel | InChI=1S/C36H39N5O10/c1-39-14-16-41(17-15-39)19-26(42)40(2)23-11-9-22(10-12-23)37-28(20-6-4-3-5-7-20)27-24-13-8-21(18-25(24)38-33(27)46)35(49)51-36-31(45)29(43)30(44)32(50-36)34(47)48/h3-13,18,29-32,36-37,43-45H,14-17,19H2,1-2H3,(H,38,46)(H,47,48)/b28-27-/t29-,30-,31+,32-,36+/m1/s1 |
| SMIL | CN(C(=O)CN1CCN(C)CC1)c2ccc(N\C(=C\3/C(=O)Nc4cc(ccc34)C(=O)O[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@@H]5O)C(=O)O)\c6ccccc6)cc2 |
| IUPAC navn | (2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(3Z)-3-[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]anilino]-phenyl-methylene]-2-oxo-indoline-6-carbonyl]oxy-tetrahydropyran-2-carboxylic acid |
| Molekylvægt (g/mol) | 701.72 |
| Formel vægt | 701.2697 |
Product Title
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