Metacycline hydrochlorideProduct ingredient for Metacycline
- Name
- Metacycline hydrochloride
- Drug Entry
- Metacycline
A broad-spectrum semisynthetic antibiotic related to tetracycline but excreted more slowly and maintaining effective blood levels for a more extended period.
- Accession Number
- DBSALT001479
- Structure
Structure for Metacycline hydrochloride (DBSALT001479)
- Synonyms
- Metacycline HCl / Methacycline HCl / Methacycline hydrochloride
- UNII
- 9GJ0N7ZAP0
- CAS Number
- 3963-95-9
- Weight
- Average: 478.88
Monoisotopic: 478.1142934 - Chemical Formula
- C22H23ClN2O8
- InChI Key
- VZQARNDJLLWXGL-CCHMMTNSSA-N
- InChI
- InChI=1S/C22H22N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-6,10,14-15,17,25,27-29,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1
- IUPAC Name
- (4S,4aR,5S,5aR,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
- SMILES
- Cl.[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
- External Links
- KEGG Compound
- C08029
- ChemSpider
- 10482179
- BindingDB
- 50103629
- ChEBI
- 6806
- ChEMBL
- CHEMBL2146123
- Wikipedia
- Metacycline
- Predicted Properties
Property Value Source Water Solubility 1.14 mg/mL ALOGPS logP -0.46 ALOGPS logP -3.5 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 2.88 Chemaxon pKa (Strongest Basic) 7.44 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 181.62 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 113.67 m3·mol-1 Chemaxon Polarizability 41.9 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon