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Cephapirin Sodium

CAT: 0127-BUP11291-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11291-02Size:25 mg
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CAS Number
24356-60-3
Purity
=95%
Smiles
[Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc1ccncc1)C2=O)C([O-])=O

Chemical Information

Cephapirin Sodium

Cephapirin sodium is the sodium salt of cephapirin. A first-generation cephalosporin antibiotic, it is effective against gram-negative and gram-positive organisms. Being more resistant to beta-lactamases than penicillins, it is effective agains most staphylococci, though not methicillin-resistant staphylococci. It has a role as an antibacterial drug. It is a cephalosporin and an organic sodium salt. It contains a cephapirin(1-).

CAS Number24356-60-3
PubChem CID23675312
IUPAC Namesodium (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC17H16N3NaO6S2
Molecular Weight445.4
Topological Polar Surface Area179
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity713
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)[O-].[Na+]
InChI
InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1
InChIKey
VGEOUKPOQQEQSX-OALZAMAHSA-M
Chemical Structure
2D Structure
2D structure of Cephapirin Sodium
CAS: 24356-60-3
CID: 23675312
Formula: C17H16N3NaO6S2
MW: 445.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight445.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass445.03782187
Monoisotopic Mass445.03782187
Topological Polar Surface Area179 Ų
Heavy Atom Count29
Formal Charge0
Complexity713
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