Cefoperazone Impurity 25

CAT: 1596-AR-C06666-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06666-02Size:25 Units

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CAS Number

3994-82-9

Synonyms

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

Molecular Formula

C8H9N5O3S

Molecular Weight

255.25

API Name

Cefoperazone

Chemical Information

Cefoperazone Impurity N7

CAS Number	3994-82-9
PubChem CID	12802218
IUPAC Name	(6R,7R)-7-amino-3-(azidomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula	C8H9N5O3S
Molecular Weight	255.26
XLogP	-2.8
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	470

SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C8H9N5O3S/c9-4-6(14)13-5(8(15)16)3(1-11-12-10)2-17-7(4)13/h4,7H,1-2,9H2,(H,15,16)/t4-,7-/m1/s1

InChIKey

WOEWMGJSTHBCRB-CLZZGJSISA-N

Chemical Structure

2D Structure

CAS: 3994-82-9

CID: 12802218

Formula: C8H9N5O3S

MW: 255.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.26
XLogP3	-2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	255.04261034
Monoisotopic Mass	255.04261034
Topological Polar Surface Area	123 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	470
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