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Roxithromycin-[13C,d3]

General Information
Catalog: BLP-004168
Molecular Formula: C40[13C]H73D3N2O15
Molecular Weight: 841.06
Chemical Structure
Roxithromycin-[13C,d3]
Description Isotopic labelled Roxithromycin is a semi-synthetic macrolide antibiotic that inhibits bacterial cell growth and replication. It is used to treat respiratory tract, urinary and soft tissue infections.
IUPAC Name (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-10-[2-(trideuterio(1-13C)methoxy)ethoxymethoxyimino]-oxacyclotetradecan-2-one
Related CAS 80214-83-1 (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)N(C)C)O)(C)O)C)C)O)(C)O
InChI InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31-/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1/i13+1D3
InChI Key RXZBMPWDPOLZGW-FQMVUPGQSA-N
Purity >98%

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