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Cefozopran hydrochloride

CAT: 0931-T4984-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T4984-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113981-44-5
Target
Antifungal, Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9534
Bioactivity
Cefozopran hydrochloride (SCE-2787 hydrochloride) is a fourth-generation cephalosporin. is a cell wall biosynthesis inhibitor with a broad spectrum of activity against Gram-positive and Gram-negative bacteria.
Smiles
Cl.[H][C@]12SCC(C[n+]3ccn4ncccc34)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1nsc(N)n1)C([O-])=O
Molecular Formula
C19H18ClN9O5S2
Molecular Weight
551.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cefozopran monohydrochloride

Cefozopran Hydrochloride is the hydrochloride salt form of cefozopran, a semi-synthetic, broad-spectrum, fourth-generation cephalosporin with antibacterial activity.

CAS Number113981-44-5
PubChem CID9690120
IUPAC Name(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,2-b]pyridazin-1-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
Molecular FormulaC19H18ClN9O5S2
Molecular Weight552.0
Topological Polar Surface Area238
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity959
SMILES
CO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=C5C=CC=NN5C=C4)C(=O)[O-].Cl
InChI
InChI=1S/C19H17N9O5S2.ClH/c1-33-24-11(14-23-19(20)35-25-14)15(29)22-12-16(30)28-13(18(31)32)9(8-34-17(12)28)7-26-5-6-27-10(26)3-2-4-21-27;/h2-6,12,17H,7-8H2,1H3,(H3-,20,22,23,25,29,31,32);1H/b24-11-;/t12-,17-;/m1./s1
InChIKey
NTJHUKMPVIFDNY-XFDPNJHTSA-N
Chemical Structure
2D Structure
2D structure of Cefozopran monohydrochloride
CAS: 113981-44-5
CID: 9690120
Formula: C19H18ClN9O5S2
MW: 552.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass551.0560847
Monoisotopic Mass551.0560847
Topological Polar Surface Area238 Ų
Heavy Atom Count36
Formal Charge0
Complexity959
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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A11284-5Cefozopran 5mg
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