Oxytetracycline calciumProduct ingredient for Oxytetracycline
- Name
- Oxytetracycline calcium
- Drug Entry
- Oxytetracycline
A tetracycline analog isolated from the actinomycete streptomyces rimosus and used in a wide variety of clinical conditions.
- Accession Number
- DBSALT001478
- Structure
Structure for Oxytetracycline calcium (DBSALT001478)
- Synonyms
- Calcium dioxytetracycline / Oxytetracycline hemicalcium
- UNII
- C8MRZ07FDV
- CAS Number
- 13303-91-8
- Weight
- Average: 958.94
Monoisotopic: 958.2433016 - Chemical Formula
- C44H46CaN4O18
- InChI Key
- KIPLYOUQVMMOHB-MXWBXKMOSA-L
- InChI
- InChI=1S/2C22H24N2O9.Ca/c2*1-21(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;/h2*4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/q;;+2/p-2/t2*12-,13-,14+,17+,21-,22+;/m11./s1
- IUPAC Name
- calcium bis((1S,4aS,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylamino)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate)
- SMILES
- [Ca++].[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2N(C)C)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O.[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2N(C)C)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O
- External Links
- ChemSpider
- 32699279
- ChEMBL
- CHEMBL3989568
- Wikipedia
- Oxytetracycline
- Predicted Properties
Property Value Source Water Solubility 0.17 mg/mL ALOGPS logP 0.29 ALOGPS logP -4.5 Chemaxon logS -3.8 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 6 Chemaxon Polar Surface Area 204.68 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 125.95 m3·mol-1 Chemaxon Polarizability 42.98 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon