Oxacillin

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

ID: Reference2709

Other Names: Biocilina;
Bristopen;
Dicloxal Ox;
Infectostaph;
MPI-penicillin ; more

Formula: C19H19N3O5S

Class: Therapeutics/Prescription Drugs

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 8
No. of Spectra 2289
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/23/2015 9:47:47 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1
InChI Key UWYHMGVUTGAWSP-JKIFEVAISA-N
Canonical SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
CAS 66795
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Other Names Biocilina;
Bristopen;
Dicloxal Ox;
Infectostaph;
MPI-penicillin;
Ocillina;
Oxacil;
Oxacilina;
Oxacilline;
Oxacillinum;
Oxagram;
Oxamicin;
Oxapen;
Oxipen;
Panadox;
Penstapho;
Prostafilina;
Prostaphlin;
Prostaphlyn;
Stafcil;
Staficilin-N;
Wydox;
(2S,5R,6R)-3,3-Dimethyl-6-(5-methyl-3-phenyl-1,2-oxazole-4-amido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
(2S,5R,6R)-3,3-Dimethyl-6-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;
2,2-Dimethyl-6β-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3α-carboxylic acid;
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-7-oxo-, [2S-(2α,5α,6β)]- ;
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(5-methyl-3-phenyl-4-isoxazolecarboxamide)-7-oxo- ;
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-7-oxo-, (2S,5R,6R)- ;
5-Methyl-3-phenyl-4-isoxazolyl-penicillin;
6β-(5-Methyl-3-phenylisoxazol-4-yl)penicillanic acid;
Oxazocillin;
Oxazocilline;
Penicillin, (5-methyl-3-phenyl-4-isoxazolyl)-

In Other Databases

ChemIDPlus 000066795; 001173882; 008067854; 072539765; 023284142
KEGG C07334; D08307
HMDb HMDB14851
PubChem 6196
ChemSpider 5961
Wikipedia Oxacillin
ChEBI CHEBI:7809
DrugBank DB00713