Capreomycin sulfateProduct ingredient for Capreomycin
- Name
- Capreomycin sulfate
- Drug Entry
- Capreomycin
Cyclic peptide antibiotic similar to viomycin. It is produced by Streptomyces capreolus.
- Accession Number
- DBSALT000443
- Structure
- Synonyms
- Not Available
- UNII
- 9H8D3J7V21
- CAS Number
- 1405-37-4
- Weight
- Average: 1517.58
Monoisotopic: 1516.633153682 - Chemical Formula
- C50H92N28O23S2
- InChI Key
- TUATYNXRYJTQTQ-RIQUSILOSA-N
- InChI
- InChI=1S/C25H44N14O8.C25H44N14O7.2H2O4S/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11;2*1-5(2,3)4/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46);2*(H2,1,2,3,4)/b15-9+;16-10+;;/t11-,12-,13+,14-,16-,18-;11-,12-,13-,14+,15-,18-;;/m00../s1
- IUPAC Name
- (3S)-3,6-diamino-N-{[(2S,5S,8E,11S,15S)-15-amino-11-[(4R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methyl}hexanamide; (3S)-3,6-diamino-N-{[(2S,5S,8E,11S,15S)-15-amino-11-[(4R)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-5-yl]methyl}hexanamide; bis(sulfuric acid)
- SMILES
- OS(O)(=O)=O.OS(O)(=O)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O.[H][C@@]1(CCN=C(N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC1=O)=C/NC(N)=O
- External Links
- PubChem Compound
- 3032400
- ChemSpider
- 35766017
- Wikipedia
- Capreomycin
- Predicted Properties
Property Value Source Water Solubility 1.48 mg/mL ALOGPS logP -3.2 ALOGPS logP -11 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 10.62 Chemaxon pKa (Strongest Basic) 10.3 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 14 Chemaxon Polar Surface Area 378.42 Å2 Chemaxon Rotatable Bond Count 19 Chemaxon Refractivity 162.2 m3·mol-1 Chemaxon Polarizability 65.61 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon