Arbekacin sulfateProduct ingredient for Arbekacin
- Name
- Arbekacin sulfate
- Drug Entry
- Arbekacin
An semisynthetic aminoglycoside antibiotic. Often used for treatment of multi-resistant bacterial infection such as methicillin-resistant Staphylococcus aureus (MRSA).
- Accession Number
- DBSALT001108
- Structure
- Synonyms
- Not Available
- UNII
- G7395HZ992
- CAS Number
- 104931-87-5
- Weight
- Average: 650.7
Monoisotopic: 650.279271359 - Chemical Formula
- C22H46N6O14S
- InChI Key
- UTUVRPOLEMRKQC-XDJMXTNXSA-N
- InChI
- InChI=1S/C22H44N6O10.H2O4S/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22;1-5(2,3)4/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34);(H2,1,2,3,4)/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19-,21+,22+;/m0./s1
- IUPAC Name
- (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide; sulfuric acid
- SMILES
- OS(O)(=O)=O.NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
- External Links
- ChemSpider
- 153319
- ChEBI
- 31233
- ChEMBL
- CHEMBL3184482
- Predicted Properties
Property Value Source Water Solubility 41.0 mg/mL ALOGPS logP -2.9 ALOGPS logP -6.9 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 12.49 Chemaxon pKa (Strongest Basic) 9.99 Chemaxon Physiological Charge 5 Chemaxon Hydrogen Acceptor Count 15 Chemaxon Hydrogen Donor Count 11 Chemaxon Polar Surface Area 297.27 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 129.08 m3·mol-1 Chemaxon Polarizability 56.59 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon