Capreomycin sulfateProduct ingredient for Capreomycin

Name
Capreomycin sulfate
Drug Entry
Capreomycin

Cyclic peptide antibiotic similar to viomycin. It is produced by Streptomyces capreolus. [PubChem]

Accession Number
DBSALT000443
Structure
Thumb
Synonyms
Not Available
UNII
9H8D3J7V21
CAS Number
1405-37-4
Weight
Average: 766.784
Monoisotopic: 766.314033696
Chemical Formula
C25H46N14O12S
InChI Key
AJQVUIHGEOLMDY-SOCRLDLMSA-N
InChI
InChI=1S/C25H44N14O8.H2O4S/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;1-5(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);(H2,1,2,3,4)/b15-9-;
IUPAC Name
3,6-diamino-N-{[(8Z)-15-amino-3,6,9,12,16-pentahydroxy-8-{[(C-hydroxycarbonimidoyl)amino]methylidene}-2-(hydroxymethyl)-11-(2-imino-1,3-diazinan-4-yl)-1,4,7,10,13-pentaazacyclohexadeca-1(16),3,6,9,12-pentaen-5-yl]methyl}hexanimidic acid; sulfuric acid
SMILES
OS(O)(=O)=O.[H]\C(NC(O)=N)=C1\N=C(O)C(CN=C(O)CC(N)CCCN)N=C(O)C(CO)N=C(O)C(N)CN=C(O)C(N=C1O)C1CCNC(=N)N1
External Links
PubChem Compound
3032400
ChemSpider
2297388
Wikipedia
Capreomycin
Predicted Properties
PropertyValueSource
Water Solubility0.163 mg/mLALOGPS
logP-1.2ALOGPS
logP-11ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)4.36ChemAxon
pKa (Strongest Basic)11.81ChemAxon
Physiological Charge5ChemAxon
Hydrogen Acceptor Count22ChemAxon
Hydrogen Donor Count16ChemAxon
Polar Surface Area397.85 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity186.56 m3·mol-1ChemAxon
Polarizability65.26 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon