Products for Research Use Only

Cefsulodin

CAT: 0013-GTR19233955-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233955-02Size:50 mg
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Description
Cefsulodin (SCE-129) is a cephalosporin antibiotic with potent activity against susceptible Pseudomonas aeruginosa, comparable to aminoglycosides. Its efficacy is reduced against multi-resistant strains. This compound is used in microbiological research for studying β-lactam resistance mechanisms and in vitro susceptibility testing.
CAS Number
62587-73-9
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
C ([O-]) (=O) C=1N2[C@@] ([C@H] (NC ([C@H] (S (=O) (=O) O) C3=CC=CC=C3) =O) C2=O) (SCC1C[N+]=4C=CC (C (N) =O) =CC4) [H]
Molecular Formula
C22H20N4O8S2
Molecular Weight
532.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cefsulodin

Cefsulodin is a pyridinium-substituted semi-synthetic, broad-spectrum, cephalosporin antibiotic. It has a role as an antibacterial drug. It is a primary carboxamide, a cephalosporin and an organosulfonic acid.

CAS Number62587-73-9
PubChem CID656575
IUPAC Name(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC22H20N4O8S2
Molecular Weight532.6
XLogP0.2
Topological Polar Surface Area225
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity1050
SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1
InChIKey
SYLKGLMBLAAGSC-QLVMHMETSA-N
Chemical Structure
2D Structure
2D structure of Cefsulodin
CAS: 62587-73-9
CID: 656575
Formula: C22H20N4O8S2
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass532.07225596
Monoisotopic Mass532.07225596
Topological Polar Surface Area225 Ų
Heavy Atom Count36
Formal Charge0
Complexity1050
Isotope Atom Count0
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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