Cefazedone Impurity 17

CAT: 1596-AR-C06492-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06492-02Size:25 Units

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CAS Number

32178-86-2

Synonyms

(6R,7R) -7-acetamido-3- (acetoxymethyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula

C12H14N2O6S

Molecular Weight

314.31

API Name

Cefazedone

Chemical Information

Des-3,5-dichloro-4-pyridinone des-5-methyl-1,3,4-thiadiazole-2-thiol acetate Cefazedone

CAS Number	32178-86-2
PubChem CID	14168081
IUPAC Name	(6R,7R)-7-acetamido-3-(acetyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula	C12H14N2O6S
Molecular Weight	314.32
XLogP	-1.5
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	558

SMILES

CC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O

InChI

InChI=1S/C12H14N2O6S/c1-5(15)13-8-10(17)14-9(12(18)19)7(3-20-6(2)16)4-21-11(8)14/h8,11H,3-4H2,1-2H3,(H,13,15)(H,18,19)/t8-,11-/m1/s1

InChIKey

XZWUXKVIZOHFTC-LDYMZIIASA-N

Chemical Structure

2D Structure

CAS: 32178-86-2

CID: 14168081

Formula: C12H14N2O6S

MW: 314.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.32
XLogP3	-1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	314.05725734
Monoisotopic Mass	314.05725734
Topological Polar Surface Area	138 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	558
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes