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Cloxacillin Benzathine

CAT: 1596-AR-C24138-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C24138-01Size:25 Units
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CAS Number
23736-58-5
Synonyms
N1, N2-dibenzylethane-1,2-diamine bis ((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)
Molecular Formula
C35H38ClN5O5S
Molecular Weight
676.22
API Name
Cloxacillin

Chemical Information

Cloxacillin Benzathine

Cloxacillin Benzathine is the benzathine salt form of a semisynthetic beta-lactamase resistant penicillin antibiotic with antibacterial activity. Cloxacillin binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall, thereby preventing the cross-linkage of peptidoglycans, which are critical components of the bacterial cell wall. This leads to a weakening of the bacterial cell wall, eventually causing bacterial cell lysis.

CAS Number23736-58-5
PubChem CID64706
IUPAC Namebis((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);N,N'-dibenzylethane-1,2-diamine
Molecular FormulaC54H56Cl2N8O10S2
Molecular Weight1112.1
Topological Polar Surface Area300
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Heavy Atom Count76
Formal Charge0
Complexity893
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.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.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
InChI
InChI=1S/2C19H18ClN3O5S.C16H20N2/c2*1-8-11(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;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1
InChIKey
COCFKSXGORCFOW-VZHMHXRYSA-N
Chemical Structure
2D Structure
2D structure of Cloxacillin Benzathine
CAS: 23736-58-5
CID: 64706
Formula: C54H56Cl2N8O10S2
MW: 1112.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1112.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Exact Mass1110.2937877
Monoisotopic Mass1110.2937877
Topological Polar Surface Area300 Ų
Heavy Atom Count76
Formal Charge0
Complexity893
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes