
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 100324-63-8 |
| Catalog No. | 2A-9049706 |
| Chinese Name | 25-O-去乙酰基利福布汀 |
| Synonyms | 25-desacetyl rifabutin |
| Molecular Formula | C44H60N4O10 |
| Molecular Weight | 804.96800 |
| Purity | 98.00 |
| Density | 1.35g/cm3 |
| Boiling Point | 975.4ºC at 760mmHg |
| SMILES | CCC(C)N1CCC2(CC1)NC3=C4NC(=O)C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)C(O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](OC)/C=C/O[C@@]5(C)Oc6c(C)c(O)c(C4=O)c(C3=N2)c6C5=O)/C |
| InChI | InChI=1S/C44H60N4O10/c1-11-23(4)48-18-16-44(17-19-48)46-32-29-30-38(52)27(8)40-31(29)41(54)43(9,58-40)57-20-15-28(56-10)24(5)36(50)26(7)37(51)25(6)35(49)21(2)13-12-14-22(3)42(55)45-34(39(30)53)33(32)47-44/h12-15,20-21,23-26,28,35-37,47,49-52H,11,16-19H2,1-10H3,(H,45,55)/b13-12+,20-15+,22-14+/t21-,23?,24+,25+,26-,28-,35-,36+,37?,43-/m0/s1 |
| InChI Key | InChIKey=DEOYQVBCXCVHII-GSNHDGFMSA-N |
| Transport Info | Product name: 25-O-Deacetylrifabutin |
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