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Cefepime Dihydrochloride Monohydrate

CAT: 1596-AR-C05532-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAS Number
123171-59-5
Synonyms
(6R,7R) -7-[[ (2Z) - (2-Aminothiazol-4-yl) (methoxyimino) acetyl]amino]-3-[ (1-methylpyrrolidinio) methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrochloride monohydrate (as per EP) ; 1-[[ (6R,7R) -7-[2- (2-Amino-4-thiazolyl) glyoxylamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methylpyrrolidinium chloride, 72- (Z) - (O-methyloxime), monohydrochloride, monohydrate (as per USP)
Molecular Formula
C19H24N6O5S2 : Cl : HCl : H2O
Molecular Weight
480.6 : 35.5 : 36.5 : 18.0
API Name
Cefepime

Chemical Information

Cefepime dihydrochloride monohydrate

Cefepime hydrochloride is a hydrochloride that is the monohydrate of the dihydrochloride salt of cefepime. It has a role as an antibacterial drug. It is a cephalosporin, a hydrate and a hydrochloride. It contains a cefepime(1+).

CAS Number123171-59-5
PubChem CID9571075
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;hydrate;hydrochloride
Molecular FormulaC19H28Cl2N6O6S2
Molecular Weight571.5
Topological Polar Surface Area202
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count35
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.O.Cl.[Cl-]
InChI
InChI=1S/C19H24N6O5S2.2ClH.H2O/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;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1
InChIKey
LRAJHPGSGBRUJN-OMIVUECESA-N
Chemical Structure
2D Structure
2D structure of Cefepime dihydrochloride monohydrate
CAS: 123171-59-5
CID: 9571075
Formula: C19H28Cl2N6O6S2
MW: 571.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass570.0888804
Monoisotopic Mass570.0888804
Topological Polar Surface Area202 Ų
Heavy Atom Count35
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 Count4
Compound Is CanonicalizedYes

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