Sodium dicloxacillin monohydrate

C₁₉H₁₈Cl₂N₃NaO₆SCAS 13412-64-1510.32 g/mol

Open in Covalent MOL file

Amide Aryl halide Carboxylic acid Lactam Sulfide

Properties

Molecular formula: C₁₉H₁₈Cl₂N₃NaO₆S
Molar mass: 510.32 g/mol
Exact mass: 509.0191 Da
logP: 2.57Crippen estimate
Polar surface area: 147.7 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4
Stereocentres: R, R, Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation91.5% of notifiers
H317 May cause an allergic skin reaction10.6% of notifiers
H319 Causes serious eye irritation91.5% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.9% of notifiers
H335 May cause respiratory irritation91.5% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

13412-64-1

SMILES

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C([O-])=O.O.[Na+]

InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

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-, sodium salt, hydrate (1:1:1), (2S,5R,6R)-
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate
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-, monosodium salt, monohydrate, [2S-(2α,5α,6β)]-
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-, monosodium salt, monohydrate, (2S,5R,6R)-
P 1011
3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl penicillin sodium salt monohydrate
Sodium dicloxacillin hydrate
Dicloxacillin sodium hydrate
Dicloxacillin sodium salt hydrate
Dicloxacillin sodium monohydrate
Dichlorstapenor sodium

Work with Sodium dicloxacillin monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dicloxacillin3116-76-5Free acid

Similar compounds

Sodium cloxacillin monohydrate7081-44-987 % similar Flucloxacillin sodium1847-24-186 % similar Sodium oxacillin monohydrate7240-38-284 % similar Cloxacillin sodium642-78-483 % similar Oxacillin sodium1173-88-279 % similar Methicillin sodium132-92-359 % similar Sodium nafcillin monohydrate7177-50-654 % similar Nafcillin sodium985-16-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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