Oxytetracycline monocalciumProduct ingredient for Oxytetracycline
- Name
- Oxytetracycline monocalcium
- Drug Entry
- Oxytetracycline
A tetracycline analog isolated from the actinomycete streptomyces rimosus and used in a wide variety of clinical conditions.
- Accession Number
- DBSALT001855
- Structure
Structure for Oxytetracycline monocalcium (DBSALT001855)
- Synonyms
- Oxytetracycline calcium (1:1)
- UNII
- M90SJ24J2X
- CAS Number
- 7179-50-2
- Weight
- Average: 498.501
Monoisotopic: 498.0951212 - Chemical Formula
- C22H22CaN2O9
- InChI Key
- QJHKFWPAQRFQBG-IFLJXUKPSA-L
- InChI
- InChI=1S/C22H24N2O9.Ca/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);/q;+2/p-2/t12-,13-,14+,17+,21-,22+;/m1./s1
- IUPAC Name
- calcium (5S,5aR,6S,6aR,7S,10aS)-9-carbamoyl-7-(dimethylamino)-5,6,8,10a-tetrahydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,11-bis(olate)
- SMILES
- [Ca++].[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C([O-])C=CC=C4[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
- 10482331
- ChEMBL
- CHEMBL2068727
- Predicted Properties
Property Value Source Water Solubility 0.209 mg/mL ALOGPS logP 0.05 ALOGPS logP -4.5 Chemaxon logS -3.4 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 5 Chemaxon Polar Surface Area 207.51 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 136.5 m3·mol-1 Chemaxon Polarizability 42.88 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon