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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:51357 - cloxacillin sodium
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ChEBI Ontology
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ChEBI Name
cloxacillin sodium
ChEBI ID
CHEBI:51357
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This entity has been manually annotated by the ChEBI Team.
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Formula
C19H17ClN3NaO5S
Net Charge
0
Average Mass
457.86397
Monoisotopic Mass
457.04751
InChI
InChI=1S/C19H18ClN3O5S.Na/c1-
8-
11(12(22-
28-
8)
9-
6-
4-
5-
7-
10(9)
20)
15(24)
21-
13-
16(25)
23-
14(18(26)
27)
19(2,3)
29-
17(13)
23;/h4-
7,13-
14,17H,1-
3H3,(H,21,24)
(H,26,27)
;/q;+1/p-
1/t13-
,14+,17-
;/m1./s1
InChIKey
SCLZRKVZRBKZCR-SLINCCQESA-M
SMILES
[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1Cl)C([O-])=O
ChEBI Ontology
Outgoing
cloxacillin sodium (
CHEBI:51357
)
has part
cloxacillin(1−) (
CHEBI:51350
)
cloxacillin sodium (
CHEBI:51357
)
is a
organic sodium salt (
CHEBI:38700
)
Incoming
cloxacillin sodium monohydrate (
CHEBI:34978
)
has part
cloxacillin sodium (
CHEBI:51357
)
IUPAC Name
sodium 2,2-
dimethyl-
6β-
({[5-
methyl-
3-
(2-
chlorophenyl)isoxazol-
4-
yl]carbonyl}amino)penam-
3α-
carboxylate
Synonyms
Sources
3-
o
-chlorophenyl-5-methyl-4-isoxazolylpenicillin sodium
ChemIDplus
cloxacillin sodium anhydrous
ChemIDplus
monosodium cloxacillin
ChemIDplus
Registry Numbers
Types
Sources
5403885
Beilstein Registry Number
Beilstein
642-78-4
CAS Registry Number
ChemIDplus
Last Modified
13 January 2009