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CHEBI:34546 - azithromycin dihydrate

ChEBI IDCHEBI:34546
ChEBI Nameazithromycin dihydrate
Stars
Last Modified28 January 2025
DownloadsMolfile
FormulaC38H72N2O12.2H2O
Net Charge0
Average Mass785.026
Monoisotopic Mass784.52966
SMILESCC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O.O.O
InChIInChI=1S/C38H72N2O12.2H2O/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28;;/h20-33,35,41-43,45-46H,15-19H2,1-14H3;2*1H2/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-;;/m1../s1
InChIKeySRMPHJKQVUDLQE-KUJJYQHYSA-N
ChEBI Ontology
Outgoing Relation(s)
azithromycin dihydrate (CHEBI:34546) has part azithromycin (CHEBI:2955)
azithromycin dihydrate (CHEBI:34546) is a hydrate (CHEBI:35505)
IUPAC Name 
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranoside dihydrate
Brand Names  Source
MisultinaDrugBank
AzidromicChEBI
AzimixChEBI
AcipharChEBI
AzitralChEBI
AzitrixChEBI
Manual XrefsDatabases
D02134KEGG DRUG
DB00207DrugBank
Registry NumbersSources
CAS:117772-70-0ChemIDplus
Citations