Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00960)
Name	Cloxacillin
Synonyms	Click to Show/Hide the Synonyms of This API cloxacillin; Cloxacillinum; Cloxacilina; Cloxacilline; Syntarpen; Tegopen; 61-72-3; Methocillin S; Cloxacillin sodium; Clossacillina [DCIT]; UNII-O6X5QGC2VB; (3-(o-Chlorophenyl)-5-methyl-4-isoxazolyl)penicillin; CHEBI:49566; 6-(3-(o-Chlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid; O6X5QGC2VB; CHEMBL891; (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; Chloroxacillin; Clossacillina; (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; Cloxacillin [INN:BAN]; Cloxacilina [INN-Spanish]; Cloxacilline [INN-French]; Cloxacillinum [INN-Latin]; BRL 1621; Methylchlorphenylisoxazoryl-penicillin; Tegopen (sodium monohydrate); Orbenin (TN); Cloxacillin (INN); BRL-1621; MCIPC; HSDB 3042; EINECS 200-514-7; P-25 (sodium monohydrate); CloxacillinNa; Cloxapen (sodium monohydrate); BRL-1621 (sodium monohydrate); (2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Cloxacillin ,(S); 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-(2alpha,5alpha,6beta))-; 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; Spectrum_001345; Cloxacillin, Antibiotic for Culture Media Use Only; Prestwick0_000186; Prestwick1_000186; Prestwick2_000186; Prestwick3_000186; Spectrum2_001143; Spectrum3_000360; Spectrum4_000296; Spectrum5_000783; Epitope ID:120363; SCHEMBL2953; BSPBio_000111; BSPBio_002059; KBioGR_000852; KBioSS_001825; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(O-chlorophenyl)-5-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-; DivK1c_000736; SPBio_001065; SPBio_002032; BPBio1_000123; DTXSID5022853; GTPL11126; KBio1_000736; KBio2_001825; KBio2_004393; KBio2_006961; KBio3_001279; BRL1621; NINDS_000736; BCP24144; ZINC3875417; BDBM50022788; DB01147; IDI1_000736; (2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-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; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(3-(o-chlorophenyl)-S-methyl-4-isoxazolecarboxamido)-3,3-dimethyl-7-oxo-; SBI-0051319.P003; C06923; D07733; 242C583; Q422219; W-105105; BRD-K01244426-236-05-5; BRD-K01244426-236-08-9; 6-(3-o-Chlorophenyl-5-methylisoxazol-4-ylamido)penicillanic acid; (2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; 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-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
Clinical Status	Approved
PubChem CID	6098
Formula	C19H18ClN3O5S
Canonical SMILES	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
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
	Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure	<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=6098"></iframe>
Structure	3D MOL		2D MOL
Physicochemical Properties	Molecular Weight	435.9	Topological Polar Surface Area	138
	XlogP	2.4	Complexity	722
	Heavy Atom Count	29	Rotatable Bond Count	4
	Hydrogen Bond Donor Count	2	Hydrogen Bond Acceptor Count	7

Full List of Drug Formulations (DFMs) Containing This API
Cloxacillin 500mg/10ml solution			Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s)
Drug Formulation 1	DFM Info click to show the detail info of this DFM
All DIGs	Click to Show/Hide the Full List of DIGs in This DFM Peanut Oil; Hydrogenated Castor Oil
Dosage Form	Solution
Company	Boehringer Ingelheim Vetmedica
DIG(s) with Biological Activity
	DIG Name	DIG Info	Representative Biological Activity of This DIG	REF
	Glyceryl monooleate	DIG Info	Diacylglycerol kinase alpha (Ki = 91000 nM)	[1]

References
1	Identification of a novel DGKalpha inhibitor for XLP-1 therapy by virtual screening. Eur J Med Chem. 2019; 164:378-390.

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