Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
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Preferred Name

Pefloxacin mesylate dihydrate
Synonyms

1-ethyl-6-luoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulonic acid;dihydrate
ID

http://purl.obolibrary.org/obo/CHEBI_201487
charge

0
database_cross_reference

Chemspider:5292900
formula

C17H20FN3O3.CH4O3S.H2O.H2O
has_exact_synonym

1-ethyl-6-luoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;methanesulonic acid;dihydrate
has_obo_namespace

chebi_ontology
id

CHEBI:201487
in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR
inchi

InChI=1S/C17H20FN3O3.CH4O3S.2H2O/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4;;/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4);2*1H2
inchikey

LEULAXMUNMRLPW-UHFFFAOYSA-N
label

Pefloxacin mesylate dihydrate
mass

465.490
monoisotopicmass

465.15811
notation

CHEBI:201487
prefLabel

Pefloxacin mesylate dihydrate
smiles

S(=O)(=O)(O)C.FC1=C(N2CCN(C)CC2)C=C3N(C=C(C(C3=C1)=O)C(=O)O)CC.O.O
treeView

http://purl.obolibrary.org/obo/CHEBI_26513
subClassOf

http://purl.obolibrary.org/obo/CHEBI_26513
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