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Cefepime dihydrochloride

CAT: 0063-89966856Size: 1 gDry Ice: NoHazardous: No
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CAT#:0063-89966856Size:1 g
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CAS Number
107648-80-6

Chemical Information

Cefepime hydrochloride anhydrous
CAS Number107648-80-6
PubChem CID5491294
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride
Molecular FormulaC19H26Cl2N6O5S2
Molecular Weight553.5
Topological Polar Surface Area201
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity874
SMILES
C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)O.Cl.[Cl-]
InChI
InChI=1S/C19H24N6O5S2.2ClH/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;;/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29);2*1H/b23-12-;;/t13-,17-;;/m1../s1
InChIKey
XQQAUWFZBOTKFQ-MHRNPJSASA-N
Chemical Structure
2D Structure
2D structure of Cefepime hydrochloride anhydrous
CAS: 107648-80-6
CID: 5491294
Formula: C19H26Cl2N6O5S2
MW: 553.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass552.0783157
Monoisotopic Mass552.0783157
Topological Polar Surface Area201 Ų
Heavy Atom Count34
Formal Charge0
Complexity874
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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