Dicloxacillin

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Systematic / IUPAC Name: (2S,5R,6R)-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-carboxylic acid

ID: Reference1600

Other Names: Dicloxacilin;
Dicloxacycline;
Dycill;
Dynapen;
3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylpenicillin ; more

Formula: C19H17Cl2N3O5S

Class: Pesticides/Herbicides

Spectral Data

Dicloxacillin 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; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 188
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/25/2016 12:25:01 PM
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Identificators

InChI InChI=1S/C19H17Cl2N3O5S/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)/t13-,14+,17-/m1/s1
InChI Key YFAGHNZHGGCZAX-JKIFEVAISA-N
Canonical SMILES CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
CAS 3116765
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Other Names Dicloxacilin;
Dicloxacycline;
Dycill;
Dynapen;
3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylpenicillin;
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-3,3-dimethyl-7-oxo-, [2S-(2α,5α,6β)]- ;
6β-{[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3α-carboxylic acid;
6-[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ;
Methyldichlorophenylisoxazolylpenicillin

In Other Databases

DrugBank APRD00916
ChEMBL CHEMBL893
ChemSpider 17358
HMDb HMDB14628
PubChem 18381
KEGG C06950; D02348
ChemIDPlus 003116765; 000343555; 037368266
ChEBI CHEBI:4511
Wikipedia Dicloxacillin