Ceftolozane Impurity 12

CAT: 1596-AR-C06839-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06839-02Size:25 Units

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CAS Number

1956303-56-2

Synonyms

(Z) -2- (((1- (5-amino-1,2,4-thiadiazol-3-yl) -2- ((2,2-dihydroxyethyl) amino) -2-oxoethylidene) amino) oxy) -2-methylpropanoic acid

Molecular Formula

C10H13N5O5S

Molecular Weight

315.30

API Name

Ceftolozane

Chemical Information

2-[(Z)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2-dihydroxyethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid

CAS Number	1956303-56-2
PubChem CID	121459615
IUPAC Name	2-[(Z)-[1-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2,2-dihydroxyethylamino)-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
Molecular Formula	C10H15N5O6S
Molecular Weight	333.32
XLogP	-0.5
Topological Polar Surface Area	208
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	457

SMILES

CC(C)(C(=O)O)O/N=C(/C1=NSC(=N1)N)\C(=O)NCC(O)O

InChI

InChI=1S/C10H15N5O6S/c1-10(2,8(19)20)21-14-5(6-13-9(11)22-15-6)7(18)12-3-4(16)17/h4,16-17H,3H2,1-2H3,(H,12,18)(H,19,20)(H2,11,13,15)/b14-5-

InChIKey

TVFHGBXJJBSDKK-RZNTYIFUSA-N

Chemical Structure

2D Structure

CAS: 1956303-56-2

CID: 121459615

Formula: C10H15N5O6S

MW: 333.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.32
XLogP3	-0.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	7
Exact Mass	333.07430439
Monoisotopic Mass	333.07430439
Topological Polar Surface Area	208 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	457
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA1215-10	Ceftolozane
M34543-01	Ceftolozane sulfate
T201544-01	Ceftolozane TFA
HY-106257A-01	Ceftolozane (TFA)
HY-19806A-01	Ceftolozane (sulfate)
HY-106257S	Ceftolozane-d6 (TFA)
TRC-C249103-5MG	Ceftolozane Sulfate-13C,15N
HY-19806S1	Ceftolozane-15N2, d4 (TFA)
CS-BU-00139	Ceftolozane Sulfate-15N2, d4
C261-50MG	Ceftolozane Sulfate stabilized w/ arginine