Substance
- Substance Name: cloxacillin
- Formula: C19H18ClN3O5S
- Molecular Weight: 435.9 g/mol
- Identifiers:
- casrn: 61-72-3
- pubchemId: 6098
- iupacname: (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 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
- inchikey: LQOLIRLGBULYKD-JKIFEVAISA-N
- csmiles: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
- ismiles: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
- wikidataId: Q422219
- chemspiderId: 5873
- dsstoxcmpId: DTXCID502853
- chemblId: CHEMBL891
- ecnumber: 200-514-7
cloxacillin
Systems and Datasets
- cloxacillin + methanol + ethyl ethanoate (Datasets: 1)
- Dataset 2 in paper 10.1021/je800730k (Dataseries: 4, Datapoints: 40, Quantity: Mole fraction)
- 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl- + methanol + butyl ethanoate (Datasets: 1)
- Dataset 1 in paper 10.1021/je800730k (Dataseries: 4, Datapoints: 40, Quantity: Mole fraction)