Basic information
- Standard SMILES
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O- InChIKey
YFAGHNZHGGCZAX-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2N3O5S
- Average molar mass
- 470.3 g/mol
- Monoisotopic mass
- 469.0265972
Overview
See also: Dicloxacillin (annotation moved to).
Names & identifiers
- Preferred name
- 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
- IUPAC
- 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
Names & synonyms
BRL 1702Oprea1_227571CHEMBL1616891R 13423SCHEMBL11407716DTXSID20859794YFAGHNZHGGCZAX-UHFFFAOYSA-N3-(2,6-Dichlorophenyl-5-methyl-4-isoxazolyl penicillinDB-047980NS00009446[2S-[2.alpha.,5.alpha.,6.beta.]]-6-[[[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid4-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-(2.alpha.,5.alpha.,6.beta.)]-
Show more names
6-(([3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid #6-[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid6-{[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
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 746
Experimental & physicochemical properties
DrugsPharmaceuticals
LogP2.89
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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