Cloxacillin

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Systematic / IUPAC Name: (2S,5R,6R)-6-({[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

ID: Reference2698

Other Names: Aclox;
Apo-cloxi;
Auropen inj;
Cloxacil;
CXN ; more

Formula: C19H18ClN3O5S

Class: Therapeutics/Prescription Drugs

Spectral Data

Cloxacillin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 272
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/17/2016 8:29:31 AM
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Identificators

InChI InChI=1S/C19H18ClN3O5S/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)/t13-,14+,17-/m1/s1
InChI Key LQOLIRLGBULYKD-JKIFEVAISA-N
Canonical SMILES CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
CAS 61723
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Other Names Aclox;
Apo-cloxi;
Auropen inj;
Cloxacil;
CXN;
Methocillin S;
Vaclox;
Vamcloxil;
(2S,5R,6R)-6-({[3-(2-Chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
(2S,5R,6R)-6-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
[3-(o-Chlorophenyl)-5-methyl-4-isoxazolyl]penicillin ;
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[3-(o-chlorophenyl)-S-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo- ;
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-3,3-dimethyl-7-oxo, (2S,5R,6R)- ;
6-({[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ;
6-[3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido]penicillanic acid

In Other Databases

ChEBI CHEBI:49566
DrugBank DB01147
HMDb HMDB15278
Wikipedia Cloxacillin
ChemIDPlus 000061723; 000642784; 023736585; 037203955; 023284153
PubChem 6098
KEGG C06923; D03571; D07733
ChemSpider 5873