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Cefoperazone-d5

CAT: 0804-HY-B0210S-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0210S-01Size:100 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cefoperazone-d5 is deuterium labeled Cefoperazone. Cefoperazone, a semisynthetic cephalosporin, has a broad spectrum of antibacterial activity[1].
CAS Number
2410425-70-4
UNSPSC
12352005
Target
Antibiotic; Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Purity
98.58
Solubility
DMSO : ≥ 100mg/mL|H2O : < 0.1 mg/mL
Smiles
OC(C1=C(CSC2=NN=NN2C)CS[C@@]([C@@H]3NC([C@@H](C4=CC=C(C=C4)O)NC(N5C(C(N(CC5)C([2H])([2H])C([2H])([2H])[2H])=O)=O)=O)=O)([H])N1C3=O)=O
Molecular Formula
C25H22D5N9O8S2
Molecular Weight
650.70
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]N Matsubara, et al. In vitro antibacterial activity of cefoperazone (T-1551), a new semisynthetic cephalosporin. Antimicrob Agents Chemother. 1979 Dec;16 (6) :731-5.|[3]Pedro H.Di Rocco, et al. Aerosol treatment with cefoperazone or gentamicin protects granulocytopenic mice from acute Pseudomonas aeruginosa pneumonia. European Journal of Pharmaceutical Sciences Volume 1, Issue 6, June 1994, Pages 285-289.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
β-lactam

Chemical Information

Cefoperazone-d5
CAS Number2410425-70-4
PubChem CID163322498
IUPAC Name(6R,7R)-7-[[(2R)-2-[[2,3-dioxo-4-(1,1,2,2,2-pentadeuterioethyl)piperazine-1-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC25H27N9O8S2
Molecular Weight650.7
XLogP-0.7
Topological Polar Surface Area271
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1250
SMILES
[2H]C([2H])([2H])C([2H])([2H])N1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
InChI
InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1/i1D3,3D2
InChIKey
GCFBRXLSHGKWDP-JRKCSJSSSA-N
Chemical Structure
2D Structure
2D structure of Cefoperazone-d5
CAS: 2410425-70-4
CID: 163322498
Formula: C25H27N9O8S2
MW: 650.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.7
XLogP3-0.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass650.17378493
Monoisotopic Mass650.17378493
Topological Polar Surface Area271 Ų
Heavy Atom Count44
Formal Charge0
Complexity1250
Isotope Atom Count5
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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