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Cephalothin (sodium)

CAT: 0804-HY-B1275-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1275-01Size:100 mg
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Description
Cephalothin sodium is a first-generation cephalosporin antibiotic with broad antibacterial activity and is effective against Gram-positive and Gram-negative bacteria.
CAS Number
58-71-9
Product Name Alternative
Cefalotin sodium
UNSPSC
12352005
Hazard Statement
H317, H334
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Cephalothin-sodium.html
Purity
99.94
Solubility
DMSO : 50 mg/mL (ultrasonic) |H2O : 50 mg/mL (ultrasonic)
Smiles
O=C(C(N12)=C(COC(C)=O)CS[C@]2([H])[C@H](NC(CC3=CC=CS3)=O)C1=O)O[Na]
Molecular Formula
C16H15N2NaO6S2
Molecular Weight
418.42
Precautions
H317, H334
References & Citations
[1]Dowarah R, et al. Selection and characterization of probiotic lactic acid bacteria and its impact on growth, nutrient digestibility, health and antioxidant status in weaned piglets. PLoS One. 2018 Mar 8;13 (3) :e0192978.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
β-lactam

Chemical Information

Cephalothin Sodium

Cephalothin sodium is an organic sodium salt. It contains a cefalotin.

CAS Number58-71-9
PubChem CID23675321
IUPAC Namesodium (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC16H15N2NaO6S2
Molecular Weight418.4
Topological Polar Surface Area169
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity686
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+]
InChI
InChI=1S/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1/p-1/t12-,15-;/m1./s1
InChIKey
VUFGUVLLDPOSBC-XRZFDKQNSA-M
Chemical Structure
2D Structure
2D structure of Cephalothin Sodium
CAS: 58-71-9
CID: 23675321
Formula: C16H15N2NaO6S2
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight418.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass418.02692283
Monoisotopic Mass418.02692283
Topological Polar Surface Area169 Ų
Heavy Atom Count27
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes