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Cefozopran (hydrochloride)

CAT: 0804-HY-B0771A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0771A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cefozopran (SCE-2787) hydrochloride is a semi-synthetic, parenteral, fourth-generation cephalosporin. Cefozopran hydrochloride, an antibiotic, has a broad spectrum of antibacterial activity, inhibiting most of the gram-negative and gram-positive organisms[1][2].
CAS Number
113981-44-5
Product Name Alternative
SCE-2787 hydrochloride
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Cefozopran-hydrochloride.html
Purity
97.66
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
[H]Cl.[O-]C(C(N1[C@@]2([H])[C@H](NC(/C(C3=NSC(N)=N3)=N\OC)=O)C1=O)=C(CS2)C[N+]4=C(C=CC=N5)N5C=C4)=O
Molecular Formula
C19H18ClN9O5S2
Molecular Weight
551.99
Precautions
H302, H315, H319, H335
References & Citations
[1]Sato T, et al. A prospective, randomized study comparing cefozopran with piperacillin-tazobactam plus ceftazidime as empirical therapy for febrile neutropenia in children with hematological disorders. Pediatr Blood Cancer. 2008;51 (6) :774-777.|[2]Iizawa Y, et al. Therapeutic effect of cefozopran (SCE-2787), a new parenteral cephalosporin, against experimental infections in mice. Antimicrob Agents Chemother. 1993;37 (1) :100-105.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
β-lactam

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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