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Cloxacillin Sodium Salt

CAT: 1596-AR-C03363-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C03363-01Size:10 Units
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CAS Number
642-78-4
Synonyms
Sodium (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-carboxylate; Ankerbin; 3- (o-Chlorophenyl) -5-methyl-4-isoxazolylpenicillin Sodium Salt; Austrastaph; BRL 1621 Sodium Salt; Cloxapen; Ekvacillin; Gelstaph; Orbenin; Orbenin Sodium; Prevencilina P; Prostaphilin A; Prostaphlin A; Syntarpen Sodium Salt; Tegopen; Sodium 3- (O-Chlorophenyl) -5-methyl-4-isoxazolylpenicillin; Sodium Cloxacillin; 6-[3- (o-Chlorophenyl) -5-methyl-4-isoxazolecarboxamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Monosodium Salt; Staphybiotic
Molecular Formula
C19H17ClN3O5S. Na
Molecular Weight
434.88 22.99
API Name
Cloxacillin

Chemical Information

Cloxacillin Sodium

Cloxacillin sodium is an organic sodium salt. It contains a cloxacillin(1-).

CAS Number642-78-4
PubChem CID23675320
IUPAC Namesodium (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-carboxylate
Molecular FormulaC19H17ClN3NaO5S
Molecular Weight457.9
Topological Polar Surface Area141
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity728
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-].[Na+]
InChI
InChI=1S/C19H18ClN3O5S.Na/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);/q;+1/p-1/t13-,14+,17-;/m1./s1
InChIKey
SCLZRKVZRBKZCR-SLINCCQESA-M
Chemical Structure
2D Structure
2D structure of Cloxacillin Sodium
CAS: 642-78-4
CID: 23675320
Formula: C19H17ClN3NaO5S
MW: 457.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight457.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass457.0475138
Monoisotopic Mass457.0475138
Topological Polar Surface Area141 Ų
Heavy Atom Count30
Formal Charge0
Complexity728
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes