CHEBI:34546 - azithromycin dihydrate

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ChEBI Name azithromycin dihydrate
ChEBI ID CHEBI:34546
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C38H72N2O12.2H2O
C38H76N2O14
Net Charge 0
Average Mass 785.01512
Monoisotopic Mass 784.530
InChI InChI=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
InChIKey SRMPHJKQVUDLQE-KUJJYQHYSA-N
SMILES O.O.CC[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]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
ChEBI Ontology
Outgoing 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 Sources
Aciphar ChEBI
Acitrocin ChEBI
Azidromic ChEBI
Azimix ChEBI
Azitral ChEBI
Azitrix ChEBI
Azitrom ChEBI
Azitromax DrugBank
Azitrona Klonal ChEBI
Azitrox ChEBI
Azitroxil ChEBI
Misultina DrugBank
Sumamed DrugBank
Tromix DrugBank
Vinzam DrugBank
Zitromax DrugBank
Manual Xrefs Databases
D02134 KEGG DRUG
DB00207 DrugBank
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Registry Number Type Source
117772-70-0 CAS Registry Number ChemIDplus
Last Modified
01 October 2008