Doxycycline-13C,d3

cas: 1902958-13-7 — see every product listed under this CAS number, including other names

Doxycycline-13C,d3 (CAS 1902958-13-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1902958-13-7
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Structural formula: {0} (CAS {1})

(4S,4aR,5S,5aR,6R,12aR)-1,5,10,11,12a-pentahydroxy-6-methyl-4-[methyl(trideuterio(113C)methyl)amino]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide (CAS 1902958-13-7) is a chemical compound with the molecular formula C22H24N2O8 and a molecular weight of 448.4 g/mol. IUPAC name: (4S,4aR,5S,5aR,6R,12aR)-1,5,10,11,12a-pentahydroxy-6-methyl-4-[methyl(trideuterio(113C)methyl)amino]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide. InChIKey: SGKRLCUYIXIAHR-IKYXREPWSA-N.

Identity
Molecular formulaC22H24N2O8
Molecular weight448.4 g/mol
IUPAC name(4S,4aR,5S,5aR,6R,12aR)-1,5,10,11,12a-pentahydroxy-6-methyl-4-[methyl(trideuterio(113C)methyl)amino]-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
InChIKeySGKRLCUYIXIAHR-IKYXREPWSA-N
SMILES[2H][13C]([2H])([2H])N(C)[C@H]1[C@@H]2[C@H]([C@@H]3[C@H](C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)C)O

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