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Cloxacillin sodium monohydrate

CAT: 1410-M15717-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Cloxacillin sodium (Cloxacap) is a sodium salt of cloxacillin that is a penicillinase-resistant, acid resistant, semi-synthetic penicillin.
CAS Number
7081-44-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
475.88
Molecular Formula
C19H17ClN3NaO5S·H2O
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Tegopen

Cloxacillin sodium monohydrate is a hydrate and an organic sodium salt. It contains a cloxacillin sodium.

CAS Number7081-44-9
PubChem CID23675743
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;hydrate
Molecular FormulaC19H19ClN3NaO6S
Molecular Weight475.9
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
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-].O.[Na+]
InChI
InChI=1S/C19H18ClN3O5S.Na.H2O/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);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
InChIKey
KCUWTKOTPIUBRI-VICXVTCVSA-M
Chemical Structure
2D Structure
2D structure of Tegopen
CAS: 7081-44-9
CID: 23675743
Formula: C19H19ClN3NaO6S
MW: 475.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass475.0580785
Monoisotopic Mass475.0580785
Topological Polar Surface Area142 Ų
Heavy Atom Count31
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 Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-205261DCloxacillin sodium monohydrate
HY-B0466-01Cloxacillin (sodium monohydrate)
90025568-1gCloxacillin sodium salt monohydrate
HY-B0466R-01Cloxacillin (sodium monohydrate) (Standard)
68636-01Cloxacillin Sodium Monohydrate (CSX), 95-102%
RM-O240105-01Oxacillin Sodium Monohydrate EP Impurity E; Cloxacillin
RM-C651219-01Cloxacillin Sodium monohydrate discontinued see RM-O240105
RM-A132401-01Amoxicillin EP Impurity A ; Ampicillin EP Impurity A; Oxacillin Sodium Monohydrate EP Impurity A; Piperacillin (Sodium) EP Impurity H; Flucloxacillin Sodium EP Impurity C; Cloxacillin Sodium EP Impurity C; Bacampicillin Hydrochloride EP Impurity A; Sulbactam EP Impurity B; Amoxicillin related compound A
B1918-500Cloxacillin Sodium

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