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CEPHAPIRIN BENZATHINE

CAT: 1266-JH914931Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH914931Size:1 Each
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CAS Number
97468-37-6
HS Code
2941905990
Stability
Keep in dark place, Inert atmosphere, Room temperature 25°C
Molecular Formula
C33H37N5O6S2
Molecular Weight
663.81
Physical Properties
White to almost white crystalline powder
Melting Point
166-170°C (dec.)

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
Loading 3D structure...
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

Alternative Products

CatalogName
444198-01Cephapirin Benzathine
A17456-25Cephapirin Benzathine 25mg
A17456-50Cephapirin Benzathine 50mg
A17456-100Cephapirin Benzathine 100mg
A17456-10mM-DCephapirin Benzathine 10mM * 1mL in DMSO
MBS5772751Benzathine
TRC-C261500-25MGCephapirin

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