TL;DR: Sisomicin sulfate mixt. with betamethasone dipropionate (CAS 137857-13-7) is a chemical compound with molecular formula C94H158F2N10O48S5 and molecular weight 2392.8801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis((2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol);bis([2-[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate);sulfuric acid
Also Known As: Sisomicin sulfate mixt. with betamethasone dipropionate, Betamethasone dipropionate mixt. with sisomicin sulfate, Pregna-1,4-diene-3,20-dione, 17,21-bis(1-oxopropoxy)-, 9-fluoro-11-hydroxy-16-methyl-(11beta,16beta)-, mixt. with O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-4))-2-deoxy-D-streptamine sulfate (2:5) (salt), (2R,3R,4R,5R)-2-[(1S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; [2-[(8S,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate; sulfuric acid
| Molecular Formula | C94H158F2N10O48S5 |
| Molecular Weight | 2392.8801 g/mol |
| XLogP | -3.332 |
| Topological Polar Surface Area (TPSA) | 1060.0 Ų |
| Hydrogen Bond Donors | 28 |
| Hydrogen Bond Acceptors | 60 |
| Rotatable Bonds | 28 |
| Exact Mass | 2392.8801 Da |
| Heavy Atoms | 159 |
| Complexity | 1770.0 |
| SMILES | CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC.CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC.C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H](C2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O.C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H](C2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O |
| InChIKey | AMEBRHZHDBACST-ITEVNGICSA-N |
The XLogP value of -3.332 indicates that Sisomicin sulfate mixt. with betamethasone dipropionate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1060.0 Ų indicates high polarity, suggesting Sisomicin sulfate mixt. with betamethasone dipropionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sisomicin sulfate mixt. with betamethasone dipropionate has 28 hydrogen bond donor(s) and 60 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sisomicin sulfate mixt. with betamethasone dipropionate is 137857-13-7.
The molecular formula of Sisomicin sulfate mixt. with betamethasone dipropionate is C94H158F2N10O48S5.
The molecular weight of Sisomicin sulfate mixt. with betamethasone dipropionate is 2392.8801 g/mol.
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