RIFABUTIN
[(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate
Also Known As: RIFABUTIN
| Molecular Formula | C46H62N4O11 |
|---|---|
| Molecular Weight | 846.4415 g/mol |
| LogP | 4.75 |
| Topological Polar Surface Area | 209.04 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 846.4415 |
| Heavy Atoms | 61 |
| Complexity | 2295.5 |
Chemical Identifiers
| CAS Number | 72559-06-9 |
|---|---|
| SMILES | C[C@H]1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)C |
Product Overview
RIFABUTIN (CAS 72559-06-9), with molecular formula C46H62N4O11 and molecular weight 846.4415 g/mol. IUPAC: [(7S,11S,12R,13S,14R,15R,16R,17S,18S)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4'-piperidine]-13-yl] acetate.
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