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> Main
CHEBI:52019 - dicloxacillin sodium monohydrate
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ChEBI Name
dicloxacillin sodium monohydrate
ChEBI ID
CHEBI:52019
Stars
This entity has been manually annotated by the ChEBI Team.
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Formulae
C19H16Cl2N3O5S.Na.H2O
C19H18Cl2N3NaO6S
Net Charge
0
Average Mass
510.32300
Monoisotopic Mass
509.01911
InChI
InChI=1S/C19H17Cl2N3O5S.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
SIGZQNJITOWQEF-VICXVTCVSA-M
SMILES
[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O
ChEBI Ontology
Outgoing
dicloxacillin sodium monohydrate (
CHEBI:52019
)
has part
dicloxacillin sodium (
CHEBI:34691
)
dicloxacillin sodium monohydrate (
CHEBI:52019
)
is a
hydrate (
CHEBI:35505
)
IUPAC Name
sodium 6β-
{[3-
(2,6-
dichlorophenyl)-
5-
methyl-
1,2-
oxazol-
4-
yl]carboxamido}-
2,2-
dimethylpenam-
3α-
carboxylate—water (1/1)
Synonyms
Sources
Dicloxacillin sodium
ChemIDplus
Dicloxacillin sodium hydrate
ChemIDplus
Dicloxacillin sodium monohydrate
KEGG COMPOUND
Dicloxacillin sodium salt hydrate
ChemIDplus
sodium (2
S
,5
R
,6
R
)-
6-
({[3-
(2,6-
dichlorophenyl)-
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
Manual Xrefs
Databases
C13756
KEGG COMPOUND
D02137
KEGG DRUG
View more database links
Registry Number
Type
Source
13412-64-1
CAS Registry Number
ChemIDplus
Last Modified
28 July 2014