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Cefepime-D8 Sulfate

CAT: 0024-sc-504735Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-504735Size:1 mg
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CAS Number
131857-33-5

Chemical Information

Cefepime-D8 Sulfate
CAS Number131857-33-5
PubChem CID13239645
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2,2,3,3,4,4,5,5-octadeuterio-1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;sulfuric acid
Molecular FormulaC19H26N6O9S3
Molecular Weight586.7
Topological Polar Surface Area287
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity950
SMILES
[2H]C1(C(C([N+](C1([2H])[2H])(C)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-])([2H])[2H])([2H])[2H])[2H].OS(=O)(=O)O
InChI
InChI=1S/C19H24N6O5S2.H2O4S/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11;1-5(2,3)4/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);(H2,1,2,3,4)/b23-12-;/t13-,17-;/m1./s1/i3D2,4D2,5D2,6D2;
InChIKey
JCRAHWHSZYCYEI-XWGFBCJBSA-N
Chemical Structure
2D Structure
2D structure of Cefepime-D8 Sulfate
CAS: 131857-33-5
CID: 13239645
Formula: C19H26N6O9S3
MW: 586.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass586.14255392
Monoisotopic Mass586.14255392
Topological Polar Surface Area287 Ų
Heavy Atom Count37
Formal Charge0
Complexity950
Isotope Atom Count8
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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CatalogName
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444111Cefepime-D3,13C Sulfate discontinued
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