Cefepime Impurity 8

CAT: 1596-AR-C06573-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06573-02Size:25 Units

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CAS Number

112533-07-0

Molecular Formula

C13H20N3O3S. Cl

Molecular Weight

298.38 35.45

API Name

Cefepime

Chemical Information

Cefepime Impurity 13

CAS Number	112533-07-0
PubChem CID	176476861
IUPAC Name	(6R,7R)-7-amino-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid chloride
Molecular Formula	C13H20ClN3O3S
Molecular Weight	333.84
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	487

SMILES

C[N+]1(CCCC1)CC2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)O)N.[Cl-]

InChI

InChI=1S/C13H19N3O3S.ClH/c1-16(4-2-3-5-16)6-8-7-20-12-9(14)11(17)15(12)10(8)13(18)19;/h7,9-10,12H,2-6,14H2,1H3;1H/t9-,10?,12-;/m1./s1

InChIKey

SYAOJKSBWQWBLG-VAALLGTGSA-N

Chemical Structure

2D Structure

CAS: 112533-07-0

CID: 176476861

Formula: C13H20ClN3O3S

MW: 333.84

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.84
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	333.0913904
Monoisotopic Mass	333.0913904
Topological Polar Surface Area	109 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	487
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes