Molecular Structure:
CCD No.:CCD03255483
BIX-01338 HYDRATE
Formula:C32 H24 F3 N3 O6 . H2 O
MolWeight:621.565
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| Product Name： | BIX-01338 HYDRATE |
| English Synonyms： | 1-[2-[4-(4-METHOXYBENZOYLOXY)PHENYL]ETHYL]-2-(4-TRIFLUOROMETHYLBENZOYLAMINO)-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID HYDRATE ; BIX-01338 HYDRATE |
| MDL Number.： | MFCD16875417 |
| H bond acceptor： | 9 |
| H bond donor： | 2 |
| Smile： | COc1ccc(cc1)C(=O)Oc2ccc(cc2)CCn3c4ccc(cc4nc3NC(=O)c5ccc(cc5)C(F)(F)F)C(=O)O.O |
| InChi： | InChI=1S/C32H24F3N3O6.H2O/c1-43-24-13-6-21(7-14-24)30(42)44-25-11-2-19(3-12-25)16-17-38-27-15-8-22(29(40)41)18-26(27)36-31(38)37-28(39)20-4-9-23(10-5-20)32(33,34)35;/h2-15,18H,16-17H2,1H3,(H,40,41)(H,36,37,39);1H2 |
| InChiKey： | InChIKey=LLTPCGBKXOESTJ-UHFFFAOYSA-N |
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Basic Information
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