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Cefsulodin (sodium salt)

CAT: 0607-C5593-250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0607-C5593-250Size:250 mg
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Description
β-lactam antibiotic
CAS Number
52152-93-9
Product Name Alternative
4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-pyridinium inner salt, monosodium salt
Field of Research
Microbiology & Virology Antibiotic
Purity
≥ 95.00%
Solubility
≥22.75 mg/mL in DMSO with gentle warming; insoluble in EtOH; ≥49.3 mg/mL in H2O
Smiles
O=C(N[C@@H]1C(N2[C@]1([H])SCC(C[N+]3=CC=C(C(N)=O)C=C3)=C2C([O-])=O)=O)[C@H](S([O-])(=O)=O)C4=CC=CC=C4.[Na+]
Molecular Formula
C22H19N4O8S2·Na
Molecular Weight
554.5
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Cefsulodin Sodium

Cefsulodin sodium is an organic molecular entity.

CAS Number52152-93-9
PubChem CID656644
IUPAC Namesodium (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC22H19N4NaO8S2
Molecular Weight554.5
Topological Polar Surface Area227
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity1040
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.[Na+]
InChI
InChI=1S/C22H20N4O8S2.Na/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);/q;+1/p-1/t15-,17-,21-;/m1./s1
InChIKey
REACMANCWHKJSM-DWBVFMGKSA-M
Chemical Structure
2D Structure
2D structure of Cefsulodin Sodium
CAS: 52152-93-9
CID: 656644
Formula: C22H19N4NaO8S2
MW: 554.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass554.05420021
Monoisotopic Mass554.05420021
Topological Polar Surface Area227 Ų
Heavy Atom Count37
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-C248090-5GCefsulodin Sodium Salt
BHC39723-01Cefsulodin Sodium Salt Hydrate
B1512-1GCefsulodin Sodium Salt, Hydrate
1602GR001Cefsulodin sodium salt for microbiology
T36600-01Cefsulodin (sodium salt hydrate)

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