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Cephapirin Benzathine 100mg

CAT: 0628-A17456-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A17456-100Size:100 mg
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CAS Number
97468-37-6

Chemical Information

Cephapirin Benzathine

Cephapirin Benzathine is the benzathine salt form of cephapirin, a semisynthetic, broad-spectrum, first-generation cephalosporin with antibacterial activity. Cephapirin binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This results in the weakening of the bacterial cell wall and causes cell lysis.

CAS Number97468-37-6
PubChem CID167441
IUPAC Namebis((6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine
Molecular FormulaC50H54N8O12S4
Molecular Weight1087.3
Topological Polar Surface Area377
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count23
Heavy Atom Count74
Formal Charge0
Complexity878
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
InChI
InChI=1S/2C17H17N3O6S2.C16H20N2/c2*1-9(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;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);1-10,17-18H,11-14H2/t2*13-,16-;/m11./s1
InChIKey
JAHKOXGROZNHHG-RACYMRPCSA-N
Chemical Structure
2D Structure
2D structure of Cephapirin Benzathine
CAS: 97468-37-6
CID: 167441
Formula: C50H54N8O12S4
MW: 1087.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1087.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count23
Exact Mass1086.27440388
Monoisotopic Mass1086.27440388
Topological Polar Surface Area377 Ų
Heavy Atom Count74
Formal Charge0
Complexity878
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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