Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5103)
Drug Name
Dicloxacillin
Synonyms
Dichloroxacillin; Diclossacillina; Dicloxaciclin; Dicloxacilin; Dicloxacilina; Dicloxacilline; Dicloxacillinum; Dicloxacycline; Dycill; Dynapen; Maclicine; Methyldichlorophenylisoxazolylpenicillin; Pathocil; Diclossacillina [DCIT]; Dicloxacillin sodium; BRL 1702; Diclocil (TN); Dicloxacilina [INN-Spanish]; Dicloxacilline [INN-French]; Dicloxacillinum [INN-Latin]; R-13423; Dicloxacillin (USAN/INN); Dicloxacillin [USAN:INN:BAN]; Dicloxacillin, Monosodium Salt, Mono-Hydrate; (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; (2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylpenicillin; 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; 6-(3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolecarboxamido)penicillanic acid; 6beta-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3alpha-carboxylic acid
Indication Bacterial infection [ICD11: 1A00-1C4Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 470.3 Topological Polar Surface Area 138
Heavy Atom Count 30 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
18381
ChEBI ID
CHEBI:4511
CAS Number
3116-76-5
TTD Drug ID
D0R2KJ
Formula
C19H17Cl2N3O5S
Canonical SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
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
InChIKey
YFAGHNZHGGCZAX-JKIFEVAISA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Penicilloic acid DM001188
52921568
Hydrolysis - Hydrolysis 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008139 Dicloxacillin Penicilloic acid Hydrolysis - Hydrolysis Unclear [2]
References
1 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 062286.
2 PubChem:Dicloxacillin

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