Doxycycline | |
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Molecular structure via molpic based on CDK |
Rotamer [] | |
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Physical properties [] | |
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Molecular mass | 444.4 g/mol [1] |
Predicted LogP | -0.7 [1] |
Structural Identifiers [] | |
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Molecular formula | C22H24N2O8 [1] |
IUPAC name | (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide [1] |
SMILES | C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O [1] |
InChI | InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 [1] |
InChIKey | SGKRLCUYIXIAHR-AKNGSSGZSA-N [1] |
Dosing [] | |
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Elimination half-life | 10 – 22 hours |
Toxicity [] | |
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TDLo | Human - female: - oral: 68 mg/kg/24D-I |
LD50 | Rat: - oral: >2 gm/kg - intraperitoneal: 378 mg/kg - intravenous: 228 mg/kg Mouse: - oral: 1870 mg/kg - intraperitoneal: 410 mg/kg - intravenous: 241 mg/kg Dog: - oral: >500 mg/kg - intravenous: >100 mg/kg |
Doxycycline
Doxycycline (also known as 4-(Dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboximidic acid, 7164-70-7, RefChem:1070088, Doxytetracycline, Vibramycin, Doxiciclina, Doxycyclinum, Monodox, Doxycycline anhydrous or 6-Deoxytetracycline) is a antibiotic substance of the aniline class.
Chemistry
Stereochemistry []
Doxycycline is a absolute mixture
Legal status
- Australia: Doxycycline is a S4 substance.
- United Kingdom: Doxycycline is a prescription only substance.
- United States: Doxycycline is a prescription only substance.
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 54671203, Doxycycline. Accessed September 14, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/54671203
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Doxycycline. UNII: 334895S862. Global Substance Registration System. Accessed September 14, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/334895S862