4-Deoxy-3'-bromopyrido(1',2'-1,2)imidazo(5,4-c)rifamycin S
[(9E,19E,21E)-31-bromo-15,17-dihydroxy-11-methoxy-7,12,14,16,18,21,22-heptamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-13-yl] acetate
Also Known As: Dbpi-rifamycin S|4-Deoxy-3'-bromopyrido(1',2'-1,2)imidazo(5,4-c)rifamycin S|2,7-(Epoxypentadeca(1,11,13)trienimino)benzofuro(4,5-e)pyrido(1,2-a)benzimidazole-1,15(2H)-dione, 25-(acetyloxy)-12-bromo-5,6,21,23-tetrahydroxy-27-methoxy-2,4,16,20,22,24,26-heptamethyl-, (2S-(2R*,16Z,18E,20R*,21R*,22S*,23S*,24S*,25R*,26S*,27R*,28E))-
| Molecular Formula | C42H48BrN3O9 |
|---|---|
| Molecular Weight | 817.2574 g/mol |
| LogP | 7.2824 |
| Topological Polar Surface Area | 157.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 817.2574 |
| Monoisotopic Mass | 817.2574 |
| Heavy Atoms | 55 |
| Complexity | 2278.5884 |
Chemical Identifiers
| CAS Number | 95360-35-3 |
|---|---|
| SMILES | CC1/C=C/C(=C(/C(=O)NC2=C3C(=C4C(=C2)C=CC5=C4C(=O)C(O5)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)N=C6N3C=CC=C6Br)\C)/C |
Product Overview
4-Deoxy-3'-bromopyrido(1',2'-1,2)imidazo(5,4-c)rifamycin S (CAS 95360-35-3), with molecular formula C42H48BrN3O9 and molecular weight 817.2574 g/mol. IUPAC: [(9E,19E,21E)-31-bromo-15,17-dihydroxy-11-methoxy-7,12,14,16,18,21,22-heptamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(36),2,4,9,19,21,25,28,30,32,34-undecaen-13-yl] acetate.