Roxithromycin

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Systematic / IUPAC Name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2-methoxyethoxy)methoxy]imino}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one

ID: Reference1127

Other Names: Claramid;
Rox;
Roxigrun;
Roxithro;
Roxitil ; more

Formula: C41H76N2O15

Class: Therapeutics/Prescription Drugs

Spectral Data

Roxithromycin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 1839
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 10/14/2016 1:09:58 PM
View Mass Spec Data > >

Identificators

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
InChI Key RXZBMPWDPOLZGW-XMRMVWPWSA-N
Canonical SMILES O=C3OC(CC)C(O)(C)C(O)C(\C(=N\OCOCCOC)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C
CAS 80214831
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Other Names Claramid;
Rox;
Roxigrun;
Roxithro;
Roxitil;
Roxitin;
Roxitromycine;
Rulide;
9-{O-[(2-Methoxyethoxy)methyl]oxime}erythromycin, (9E)-

In Other Databases

KEGG D01710; C13173
ChEBI CHEBI:48935
PubChem 6915744
ChEMBL CHEMBL1214185
ChemSpider 5291557
Wikipedia Roxithromycin