Oxytetracycline dihydrateProduct ingredient for Oxytetracycline
- Name
- Oxytetracycline dihydrate
- Drug Entry
- Oxytetracycline
A tetracycline analog isolated from the actinomycete streptomyces rimosus and used in a wide variety of clinical conditions.
- Accession Number
- DBSALT001618
- Structure
Structure for Oxytetracycline dihydrate (DBSALT001618)
- Synonyms
- 5-hydroxytetracycline dihydrate / Oxytetracycline / Oxytetracycline dehydrate
- UNII
- X20I9EN955
- CAS Number
- 6153-64-6
- Weight
- Average: 496.469
Monoisotopic: 496.16930973 - Chemical Formula
- C22H28N2O11
- InChI Key
- SRRPEXWCHWWJOC-JEKSYDDFSA-N
- InChI
- InChI=1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);2*1H2/t12-,13-,14+,17+,21-,22+;;/m1../s1
- IUPAC Name
- (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide dihydrate
- SMILES
- O.O.[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
- External Links
- ChemSpider
- 10482120
- ChEMBL
- CHEMBL1892210
- Predicted Properties
Property Value Source Water Solubility 1.4 mg/mL ALOGPS logP -0.99 ALOGPS logP -4.5 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 3.18 Chemaxon pKa (Strongest Basic) 8.29 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 201.85 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 115.4 m3·mol-1 Chemaxon Polarizability 43.22 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