CAS: 14206-59-8 - 4-Epidemeclocycline

Formula: C₂₁H₂₁ClN₂O₈

InChI: InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14+,15-,21-/m0/s1

InChI key: InChIKey=FMTDIUIBLCQGJB-PTACOPLGSA-N

SMILES: O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=C(Cl)C4C(O)C3CC2C(C1O)N(C)C

Synonyms:

• 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, 4-epimer
• 4-epi-Demeclocycline
• (4R,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide
• 2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, [4R-(4α,4aβ,5aβ,6α,12aβ)]-
• 2-Naphthacenecarboxamide, 7-chloro-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)-

Demeclocycline EP Impurity B (4-Epidemeclocycline)

CAS: 14206-59-8179471-95-5

• Formula: C₂₁H₂₁ClN₂O₈
• Molecular weight: 464.86

4-epi-Demeclocycline (~90%)

CAS: 14206-59-8

• Formula: C₂₁H₂₁ClN₂O₈
• Purity: ~90%
• Color and Shape: Neat
• Molecular weight: 464.85

Demeclocycline EP Impurity B

CAS: 14206-59-8

• Color and Shape: Yellow Solid, Hygroscopic