
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 845533-86-0 |
| Catalog No. | 2A-1171112 |
| Chinese Name | 贝达喹啉富马酸盐 |
| Synonyms | Sirturo; bedaquiline fumarate; Bedaquiline (fumarate) |
| Molecular Formula | C36H35BrN2O6 |
| Molecular Weight | 671.577 |
| Purity | 98.00 |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | Bedaquiline fumarate is a diarylquinoline antibiotic that acts on ATP synthase and is commonly used to treat Mycobacterium tuberculosis infections. |
| PubChem ID | 49811845 |
| SMILES | COc1nc2ccc(Br)cc2cc1C(c1ccccc1)C(O)(CCN(C)C)c1cccc2ccccc12.O=C(O)C=CC(=O)O |
| InChI | InChI=1S/C32H31BrN2O2.C4H4O4/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3;5-3(6)1-2-4(7)8/h4-17,20-21,30,36H,18-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t30-,32-;/m1./s1 |
| InChI Key | ZLVSPMRFRHMMOY-WWCCMVHESA-N |
| Transport Info | Product name: Bedaquiline fumarate |
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| oxyma | 57361-81-6 | 2A-1171111 |
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| 4-BROMO-2,3-DIMETHYLPHENOL | 22802-37-5 | 2A-1171115 |
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