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Roxithromycin-[13C,d3]

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Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

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Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

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Roxithromycin-[13C,d3]

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General Information
Catalog: BLP-004168
Molecular Formula: C40[13C]H73D3N2O15
Molecular Weight: 841.06

Chemical Structure

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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