flurithromycin (CHEBI:131719)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131719 - flurithromycin

Take structure to advanced search

ChEBI ID	CHEBI:131719
ChEBI Name	flurithromycin
Stars
Definition	An erythromycin derivative that is erythromycin A in which the hydrogen attached to the carbon at position 8 (α to the ketone carbonyl group) has been replaced by a fluorine. It has been used (generally as the corresponding monoethyl succinate ester) as an antibacterial drug.
Last Modified	22 February 2017
Submitter	Kevin
Downloads	Molfile

Formula	C37H66FNO13
Net Charge	0
Average Mass	751.927
Monoisotopic Mass	751.45182
SMILES	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](N(C)C)[C@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChI	InChI=1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1
InChIKey	XOEUHCONYHZURQ-HNUBZJOYSA-N

Wikipedia

Roles Classification

Biological Roles:	antibacterial drug A drug used to treat or prevent bacterial infections. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:	antibacterial drug A drug used to treat or prevent bacterial infections.

ChEBI Ontology

Outgoing Relation(s)
	flurithromycin (CHEBI:131719) has functional parent erythromycin A (CHEBI:42355)
	flurithromycin (CHEBI:131719) has role antibacterial drug (CHEBI:36047)
	flurithromycin (CHEBI:131719) is a cyclic ketone (CHEBI:3992)
	flurithromycin (CHEBI:131719) is a erythromycin derivative (CHEBI:48924)
	flurithromycin (CHEBI:131719) is a organofluorine compound (CHEBI:37143)
	flurithromycin (CHEBI:131719) is a semisynthetic derivative (CHEBI:72588)

IUPAC Name
(3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-9-fluoro-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione

INNs	Source
flurithromycin	WHO MedNet
fluritromicina	WHO MedNet
flurithromycinum	WHO MedNet
flurithromycine	WHO MedNet

Synonyms	Source
antibiotic P 80206	ChemIDplus
P-0501A	ChemIDplus
P 80206	ChemIDplus
Cl-932	ChemIDplus
8-fluoroerythromycin	ChemIDplus
(8S)-8-fluoroerythromycin A	ChemIDplus

Manual Xrefs	Databases
D07242	KEGG DRUG
Flurithromycin	Wikipedia
1221	DrugCentral

Registry Numbers	Sources
Reaxys:6950255	Reaxys
CAS:82664-20-8	KEGG DRUG
CAS:82664-20-8	ChemIDplus

Citations