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(alpha)-Apo-oxytetracycline

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For Research Use Only | Not For Clinical Use
CATAPS18695017A
CAS18695-01-7
Structure
IUPAC Name(3S,4S,5S)-4-[(1R)-4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl]-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide
Molecular Weight442.42
Molecular FormulaC22H22N2O8
Canonical SMILESCN(C)[C@H]1[C@@H]([C@H](O)C(=O)C(=C1O)C(=O)N)[C@H]2OC(=O)c3c(O)c4c(O)cccc4c(C)c23
InChIInChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)20(32-22(12)31)13-15(24(2)3)17(27)14(21(23)30)19(29)18(13)28/h4-6,13,15,18,20,25-28H,1-3H3,(H2,23,30)/t13-,15-,18-,20-/m0/s1
Accurate Mass442.1376
FormatNeat
Product TypeMetabolite
Size25MG
SubcategoryPharmaceutical, Antibiotics
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