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Ceftolozane Impurity 10

CAT: 1596-AR-C06837-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06837-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1956303-47-1
Synonyms
(6R,7R) -3- ((5-amino-4- (3- (2-aminoethyl) ureido) -1-methyl-1H-pyrazol-2-ium-2-yl) methyl) -7- (methylsulfonamido) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula
C16H24N8O6S2
Molecular Weight
488.54
API Name
Ceftolozane

Chemical Information

(6R,7R)-3-[[5-amino-4-(2-aminoethylcarbamoylamino)-1-methylpyrazol-2-ium-2-yl]methyl]-7-(methanesulfonamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Number1956303-47-1
PubChem CID176486278
IUPAC Name(6R,7R)-3-[[5-amino-4-(2-aminoethylcarbamoylamino)-1-methylpyrazol-2-ium-2-yl]methyl]-7-(methanesulfonamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC16H24N8O6S2
Molecular Weight488.5
XLogP-4.5
Topological Polar Surface Area242
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity916
SMILES
CN1C(=C(C=[N+]1CC2=C(N3[C@@H]([C@@H](C3=O)NS(=O)(=O)C)SC2)C(=O)[O-])NC(=O)NCCN)N
InChI
InChI=1S/C16H24N8O6S2/c1-22-12(18)9(20-16(28)19-4-3-17)6-23(22)5-8-7-31-14-10(21-32(2,29)30)13(25)24(14)11(8)15(26)27/h6,10,14,18,21H,3-5,7,17H2,1-2H3,(H3,19,20,26,27,28)/t10-,14-/m1/s1
InChIKey
QACPOEQPLQIDLS-QMTHXVAHSA-N
Chemical Structure
2D Structure
2D structure of (6R,7R)-3-[[5-amino-4-(2-aminoethylcarbamoylamino)-1-methylpyrazol-2-ium-2-yl]methyl]-7-(methanesulfonamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS: 1956303-47-1
CID: 176486278
Formula: C16H24N8O6S2
MW: 488.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.5
XLogP3-4.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass488.12602286
Monoisotopic Mass488.12602286
Topological Polar Surface Area242 Ų
Heavy Atom Count32
Formal Charge0
Complexity916
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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