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Nafcillin sodium monohydrate

CAT: 0013-GTR19175710Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175710Size:50 mg
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Description
Nafcillin sodium monohydrate is a penicillinase-resistant penicillin derivative that inhibits bacterial cell wall synthesis. It is widely used in research to study infections caused by penicillin-resistant Staphylococci, including in vitro susceptibility testing and in vivo infection model studies.
CAS Number
7177-50-6
Product Name Alternative
Staphylococcal, β-Lactamase, methicillin-resistant, methicillin-susceptible, Bacterial, bactericidal, Antibiotic, CL 8491, CL8491, CL-8491
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
90.83% (May vary between batches)
Solubility
DMSO:84 mg/mL (184.83 mM) ; H2O:83 mg/mL (182.63 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.26 mM) ; Ethanol:16 mg/mL (35.21 mM)
Smiles
O.[Na+].CCOc1ccc2ccccc2c1ON[C@H]1[C@H]2SC (C) (C) [C@@H] (N2C1=O) C ([O-]) =O
Molecular Formula
C21H21N2O5SNa·H2O
Molecular Weight
454.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nafcillin sodium monohydrate

Nafcillin sodium monohydrate is a hydrate and an organic sodium salt. It contains a nafcillin sodium.

CAS Number7177-50-6
PubChem CID23704143
IUPAC Namesodium;(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
Molecular FormulaC21H23N2NaO6S
Molecular Weight454.5
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity705
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)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/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);;1H2/q;+1;/p-1/t15-,16+,19-;;/m1../s1
InChIKey
OCXSDHJRMYFTMA-KMFBOIRUSA-M
Chemical Structure
2D Structure
2D structure of Nafcillin sodium monohydrate
CAS: 7177-50-6
CID: 23704143
Formula: C21H23N2NaO6S
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass454.11745191
Monoisotopic Mass454.11745191
Topological Polar Surface Area125 Ų
Heavy Atom Count31
Formal Charge0
Complexity705
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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