4-Epidemethyltetracycline

CAS: 129044-45-7

Ref. TR-D231855

Product Information

• Name: 4-Epidemethyltetracycline
• Synonyms: 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, (4R,4aS,5aS,6S,12aS)-, 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, [4
• Brand: TRC
• Description: Applications 4-Epidemethyltetracycline is an impurity of Demeclocycline (D230725), an antibiotic related to tetracycline and produced by streptomyces aureofaciens. Because it is excreted more slowly than tetracycline, it maintains effective blood levels for longer periods of time.References Jilka, R., et al.: J. Clin. Invest., 104, 439 (1999), Hauge, E; Bone, 28, 556 (2001), Dobnig, H., et al.: J. Clin. Endocrinol. Metab., 90, 3970 (2005),

Chemical properties

• Molecular weight: 430.408
• Formula: C₂₁H₂₂N₂O₈
• Color/Form: Neat
• InChI: InChI=1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-25,27-28,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14+,15+,21-/m0/s1
• InChI key: InChIKey=JCSGAUKCDAVARS-UUBIYHLESA-N
• SMILES: CN(C)[C@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@H](O)[C@H]3C[C@@H]12