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Oxytetracycline (calcium)

CAT: 0804-HY-B0275CSize: 1 EachDry Ice: NoHazardous: No
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Description
Oxytetracycline calcium is an antibiotic belonging to the tetracycline class. Oxytetracycline calcium potently inhibits Gram-negative and Gram-positive bacteria. Oxytetracycline calcium is a protein synthesis inhibitor and prevents the binding from aminoacil-tRNA to the complex m-ribosomal RNA. Oxytetracycline calcium also possesses anti-HSV-1 activity[1][2][3].
CAS Number
7179-50-2
UNSPSC
12352005
Target
Antibiotic; Bacterial; Endogenous Metabolite; HSV
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
COVID-19-anti-virus
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
O=C(C(C1=O)=C(O)[C@@H](N(C)C)[C@]2([H])[C@@H](O)[C@]3([H])[C@](C)(O)C4=C(C(C3=C(O)[C@@]21O)=O)C(O)=CC=C4)N.[Ca]
Molecular Formula
C22H24CaN2O9
Molecular Weight
500.51
References & Citations
[1]Elia, A.C., et al., Transferability of oxytetracycline (OTC) from feed to carp muscle and evaluation of the antibiotic effects on antioxidant systems in liver and kidney. Fish Physiol Biochem, 2014.|[2]Pickens LB, et al. Oxytetracycline biosynthesis. J Biol Chem. 2010 Sep 3;285 (36) :27509-15.|[3]Oguz Guvenmez, et al. A New Treatment Method for Herpes Simplex Virus Type 1-related Skin Lesions. Scientific & Academic. 2019; 8 (1) : 6-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
HSV-1; Human Endogenous Metabolite; Microbial Metabolite; Tetracycline

Chemical Information

Calcium oxytetracycline

See also: Oxytetracycline Calcium (annotation moved to); Oxytetracycline Dihydrate (annotation moved to); Oxytetracycline Hydrochloride (annotation moved to) ... View More ...

CAS Number7179-50-2
PubChem CID54686182
IUPAC Namecalcium (5S,5aR,6S,6aR,7S,10aR)-9-carbamoyl-7-(dimethylamino)-5,6,10,10a-tetrahydroxy-5-methyl-8,11-dioxo-5a,6,6a,7-tetrahydrotetracene-1,12-diolate
Molecular FormulaC22H22CaN2O9
Molecular Weight498.5
Topological Polar Surface Area208
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity1000
SMILES
C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)O)C(=O)N)N(C)C)O)O.[Ca+2]
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;/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31);/q;+2/p-2/t12-,13-,14+,17+,21-,22+;/m1./s1
InChIKey
VNXGBFNHSOJJDT-IFLJXUKPSA-L
Chemical Structure
2D Structure
2D structure of Calcium oxytetracycline
CAS: 7179-50-2
CID: 54686182
Formula: C22H22CaN2O9
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass498.0951211
Monoisotopic Mass498.0951211
Topological Polar Surface Area208 Ų
Heavy Atom Count34
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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