Chlortetracycline calcium complexProduct ingredient for Chlortetracycline
- Name
- Chlortetracycline calcium complex
- Drug Entry
- Chlortetracycline
Chlortetracycline is a tetracycline antibiotic, and historically the first member of this class to be identified. It was discovered in 1945 by the scientist, Benjamin Minge Duggar, working at Lederle Laboratories under the supervision of Yellapragada Subbarow. He discovered that this antibiotic was the product of an actinomycete strain he cultured and obtained from a soil sample from a field in Missouri. The organism was named Streptomyces aureofaciens due to its gold-hued color.
- Accession Number
- DBSALT001647
- Structure
Structure for Chlortetracycline calcium complex (DBSALT001647)
- Synonyms
- Calcium-chlortetracycline complex / Chlortetracycline calcium complex
- UNII
- NR4B2SX17S
- CAS Number
- 57122-99-3
- Weight
- Average: 995.83
Monoisotopic: 994.1755277 - Chemical Formula
- C44H44CaCl2N4O16
- InChI Key
- BRXWPGYMDYZZNU-NAUDNZITSA-L
- InChI
- InChI=1S/2C22H23ClN2O8.Ca/c2*1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h2*4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);/q;;+2/p-2/t2*7-,8-,15-,21-,22-;/m00./s1
- IUPAC Name
- calcium bis((1S,4aS,11S,11aS,12aS)-3-carbamoyl-10-chloro-1-(dimethylamino)-4a,5,7,11-tetrahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate)
- SMILES
- [Ca++].[H][C@@]12C[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(Cl)=CC=C1O)[C@@]3(C)O.[H][C@@]12C[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(Cl)=CC=C1O)[C@@]3(C)O
- External Links
- ChemSpider
- 34992614
- Predicted Properties
Property Value Source Water Solubility 0.0172 mg/mL ALOGPS logP 1.13 ALOGPS logP -2.9 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 2.99 Chemaxon pKa (Strongest Basic) 9.04 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 184.45 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 129.54 m3·mol-1 Chemaxon Polarizability 45.19 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon