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N-Demethyl Roxithromycin-[d7]

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General Information
Catalog: BLP-004939
Molecular Formula: C40H67D7N2O15
Molecular Weight: 830.06

Chemical Structure

Description	N-Demethyl Roxithromycin-[d7] is the labelled analogue of N-Demethyl Roxithromycin, which is an impurity found in the macrolide antibiotic, roxithromycin.
Synonyms	N-Demethyl Roxithromycin D7; (9E)-9-[O-[(2-Methoxyethoxy)methyl]oxime]-N-demethyl Erythromycin-d7; (E)-N-Demethylroxithromycin-d7; N-Demethylroxithromycin-d7
IUPAC Name	(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]methoxyimino]-oxacyclotetradecan-2-one
Related CAS	118267-18-8 (unlabelled)
Canonical SMILES	CCC1C(C(C(C(=NOCOCCOC)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)O)C)C)O)(C)O
InChI	InChI=1S/C40H74N2O15/c1-14-28-40(10,48)33(44)23(4)30(42-52-20-51-16-15-49-12)21(2)18-38(8,47)35(57-37-31(43)27(41-11)17-22(3)53-37)24(5)32(25(6)36(46)55-28)56-29-19-39(9,50-13)34(45)26(7)54-29/h21-29,31-35,37,41,43-45,47-48H,14-20H2,1-13H3/b42-30-/t21-,22-,23+,24+,25-,26+,27+,28-,29+,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1/i12D3,15D2,16D2
InChI Key	HVLDACGFXJHOFG-DZFGOPDLSA-N
Purity	>98%
Appearance	Solid
Storage	Store at -20°C