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(E) -Cefodizime

CAT: 0804-HY-Z7592-01Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Z7592-01Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(E) -Cefodizime ((E) -THR-221) is an antibiotic. (E) -Cefodizime can selectively bind to penicillin-binding proteins (PBPs) and inhibit the synthesis of the bacterial cell wall, thereby exerting antibacterial activity. (E) -Cefodizime is promising for research of various bacterial infectious diseases, such as for preoperative infection prophylaxis[1].
CAS Number
97180-26-2
Product Name Alternative
(E) -THR-221
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Antibiotic; Bacterial; Penicillin-binding protein (PBP)
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
OC(C1=C(CSC2=NC(C)=C(CC(O)=O)S2)CS[C@@]3([H])N1C([C@@]3([H])NC(/C(C4=CSC(N)=N4)=N/OC)=O)=O)=O
Molecular Formula
C20H20N6O7S4
Molecular Weight
584.67
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Romano A, et al. Selective immediate hypersensitivity to cefodizime. Allergy. 2005 Dec;60 (12) :1545-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

(E)-Cefodizime
CAS Number97180-26-2
PubChem CID6321412
IUPAC Name(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC20H20N6O7S4
Molecular Weight584.7
XLogP0.2
Topological Polar Surface Area304
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity1030
SMILES
CC1=C(SC(=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/C4=CSC(=N4)N)SC2)C(=O)O)CC(=O)O
InChI
InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12+/t13-,17-/m1/s1
InChIKey
XDZKBRJLTGRPSS-ZSKFQXOHSA-N
Chemical Structure
2D Structure
2D structure of (E)-Cefodizime
CAS: 97180-26-2
CID: 6321412
Formula: C20H20N6O7S4
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP30.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass584.02763169
Monoisotopic Mass584.02763169
Topological Polar Surface Area304 Ų
Heavy Atom Count37
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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