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Cefepime-D8 Sulfate

CAT: 0024-sc-504735ASize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-504735ASize:10 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...
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