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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | pefloxacin mesylate | |
| Synonyms |
pefloxacin mesilate Pefloxacin methanesulfonate Perti 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50194 |
|
| alternative term |
pefloxacin mesilate Pefloxacin methanesulfonate Perti 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonate
|
|
| bearer of | ||
| charge |
0
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|
| database_cross_reference |
Beilstein:4092574 CAS:70458-95-6 DrugBank:DB00487 KEGG:D02307
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|
| formula |
C18H24FN3SO6 C17H20FN3O3.CH4SO3
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|
| has part | ||
| has_exact_synonym |
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methanesulfonate
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
pefloxacin mesilate Pefloxacin methanesulfonate Perti
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|
| id |
CHEBI:50194
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|
| in_subset | ||
| inchi |
InChI=1S/C17H20FN3O3.CH4O3S/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)
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|
| inchikey |
HQQSBEDKMRHYME-UHFFFAOYSA-N
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|
| label |
pefloxacin mesylate
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|
| mass |
429.46418
|
|
| monoisotopicmass |
429.13698
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|
| notation |
CHEBI:50194
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|
| overlaps | ||
| prefLabel |
pefloxacin mesylate
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|
| RO_0000087 | ||
| smiles |
[H+].CS([O-])(=O)=O.CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1
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| subClassOf |
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