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Doxycycline-[d3] Hyclate

General Information
Catalog: BLP-006069
Molecular Formula: C22H21D3N2O8.HCl.1/2(H2O).1/2(C2H6O)
Molecular Weight: 547.99
Chemical Structure
Doxycycline-[d3] Hyclate
Description Doxycycline-[d3] Hyclate, is the labelled analogue of Doxycycline Hyclate. Doxycycline is a member of the tetracycline antibiotic group, and is commonly used to treat a variety of infections.
Synonyms Doxycycline D3 Hyclate
IUPAC Name (4S,4aR,5S,5aR,6R,12aR)-1,5,10,11,12a-pentahydroxy-6-methyl-4-(methyl(methyl-d3)amino)-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide;ethanol;hydrate;hydrochloride
Related CAS 24390-14-5 (unlabelled)
Canonical SMILES CCO.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl
InChI InChI=1S/2C22H24N2O8.C2H6O.ClH.H2O/c2*1-7-8-5-4-6-9(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;1-2-3;;/h2*4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);3H,2H2,1H3;1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;/m00.../s1/i2D3;;;;
InChI Key ZVUXBUYPLUFUGK-IECIAVFSSA-N
Melting Point >180°C (dec.)
Purity ≥99% atom D
Solubility Soluble in DMSO, Methanol, Aqueous Acid
Appearance Pale Yellow to Dark Yellow Solid
Storage Store at-20°C

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