Demeclocycline hydrochlorideProduct ingredient for Demeclocycline
- Name
- Demeclocycline hydrochloride
- Drug Entry
- Demeclocycline
A tetracycline analog having a 7-chloro and a 6-methyl. Because it is excreted more slowly than tetracycline, it maintains effective blood levels for longer periods of time.
- Accession Number
- DBSALT000040
- Structure
Structure for Demeclocycline hydrochloride (DBSALT000040)
- Synonyms
- Demeclocycline HCl
- UNII
- 29O079NTYT
- CAS Number
- 64-73-3
- Weight
- Average: 501.31
Monoisotopic: 500.0753211 - Chemical Formula
- C21H22Cl2N2O8
- InChI Key
- GVSJQNRGSCOSNJ-KBHRXELFSA-N
- InChI
- InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1
- IUPAC Name
- (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
- SMILES
- Cl.[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C([C@H]2O)C(Cl)=CC=C1O
- External Links
- PubChem Compound
- 54686764
- ChemSpider
- 10482189
- ChEBI
- 59725
- ChEMBL
- CHEMBL1200474
- Wikipedia
- Demeclocycline
- Predicted Properties
Property Value Source Water Solubility 0.53 mg/mL ALOGPS logP -0.4 ALOGPS logP -3.2 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 2.94 Chemaxon pKa (Strongest Basic) 9.04 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 181.62 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 114.35 m3·mol-1 Chemaxon Polarizability 43.66 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 No Chemaxon