Meclocycline sulfosalicylateProduct ingredient for Meclocycline
- Name
- Meclocycline sulfosalicylate
- Drug Entry
- Meclocycline
Meclocycline is under investigation in clinical trial NCT00385515 (Efficacy of SNX-1012 in the Treatment of Oral Mucositis) 3.
- Accession Number
- DBSALT002414
- Structure
Structure for Meclocycline sulfosalicylate (DBSALT002414)
- Synonyms
- Meclocycline sulfosalicylate
- External IDs
- SNX-1012
- UNII
- 46VZA7RX2B
- CAS Number
- 73816-42-9
- Weight
- Average: 695.05
Monoisotopic: 694.0871524 - Chemical Formula
- C29H27ClN2O14S
- InChI Key
- FYSVKUUNXYGFLA-CCHMMTNSSA-N
- InChI
- InChI=1S/C22H21ClN2O8.C7H6O6S/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32);1-3,8H,(H,9,10)(H,11,12,13)/t10-,14-,15+,17+,22+;/m1./s1
- IUPAC Name
- (4S,4aR,5S,5aR,12aS)-7-chloro-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-hydroxy-5-sulfobenzoic acid
- SMILES
- OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O.[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4Cl)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
- External Links
- ChemSpider
- 10482136
- ChEMBL
- CHEMBL261772
- Predicted Properties
Property Value Source Water Solubility 0.542 mg/mL ALOGPS logP 0.11 ALOGPS logP -3 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 2.95 Chemaxon pKa (Strongest Basic) 8.82 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 4 Chemaxon Refractivity 118.47 m3·mol-1 Chemaxon Polarizability 44.82 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon