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> Main
CHEBI:52040 - flucloxacillin sodium monohydrate
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ChEBI Name
flucloxacillin sodium monohydrate
ChEBI ID
CHEBI:52040
Stars
This entity has been manually annotated by the ChEBI Team.
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Formulae
C19H16ClFN3O5S.Na.H2O
C19H18ClFN3NaO6S
Net Charge
0
Average Mass
493.86900
Monoisotopic Mass
493.04866
InChI
InChI=1S/C19H17ClFN3O5S.Na.H2O/c1-
7-
10(12(23-
29-
7)
11-
8(20)
5-
4-
6-
9(11)
21)
15(25)
22-
13-
16(26)
24-
14(18(27)
28)
19(2,3)
30-
17(13)
24;;/h4-
6,13-
14,17H,1-
3H3,(H,22,25)
(H,27,28)
;;1H2/q;+1;/p-
1/t13-
,14+,17-
;;/m1../s1
InChIKey
PARMJFIQRZRMHG-VICXVTCVSA-M
SMILES
[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(F)cccc1Cl)C([O-])=O
ChEBI Ontology
Outgoing
flucloxacillin sodium monohydrate (
CHEBI:52040
)
has part
flucloxacillin sodium (
CHEBI:31615
)
flucloxacillin sodium monohydrate (
CHEBI:52040
)
is a
hydrate (
CHEBI:35505
)
IUPAC Name
sodium 6β-
{[3-
(2-
chloro-
6-
fluorophenyl)-
5-
methyl-
1,2-
oxazol-
4-
yl]carboxamido}-
2,2-
dimethylpenam-
3α-
carboxylate—water (1/1)
Synonyms
Sources
3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolylpenicillin sodium monohydrate
ChemIDplus
Floxacillin sodium monohydrate
ChemIDplus
sodium (2
S
,5
R
,6
R
)-
6-
({[3-
(2-
chloro-
6-
fluorophenyl)-
5-
methyl-
1,2-
oxazol-
4-
yl]carbonyl}amino)-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylate hydrate
IUPAC
Registry Numbers
Types
Sources
34214-51-2
CAS Registry Number
ChemIDplus
34214-51-2
CAS Registry Number
KEGG DRUG
5714790
Beilstein Registry Number
Beilstein
Last Modified
03 March 2009