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Ceftaroline Fosamil Impurity 8

CAT: 1596-AR-C02038-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02038-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1286218-70-9
Synonyms
(R) -2- ((R) - ((Z) -2- (5-amino-1,2,4-thiadiazol-3-yl) -2- (ethoxyimino) acetamido) (carboxy) methyl) -5- ((4- (1-methylpyridin-1-ium-4-yl) thiazol-2-yl) thio) -3,6-dihydro-2H-1,3-thiazine-4-carboxylate
Molecular Formula
C22H22N8O6S4
Molecular Weight
622.73
API Name
Ceftaroline Fosamil

Chemical Information

Unii-H1L2dsy2CM
CAS Number1286218-70-9
PubChem CID138756682
IUPAC Name(2R)-2-[(R)-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-carboxylatomethyl]-5-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate;hydron
Molecular FormulaC22H22N8O6S4
Molecular Weight622.7
Topological Polar Surface Area319
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity1000
SMILES
[H+].CCO/N=C(/C1=NSC(=N1)N)\C(=O)N[C@@H]([C@@H]2NC(=C(CS2)SC3=NC(=CS3)C4=CC=[N+](C=C4)C)C(=O)[O-])C(=O)[O-]
InChI
InChI=1S/C22H22N8O6S4/c1-3-36-28-14(16-27-21(23)40-29-16)17(31)25-15(20(34)35)18-26-13(19(32)33)12(9-37-18)39-22-24-11(8-38-22)10-4-6-30(2)7-5-10/h4-8,15,18,26H,3,9H2,1-2H3,(H4-,23,25,27,29,31,32,33,34,35)/b28-14-/t15-,18+/m0/s1
InChIKey
YXIOPLJUAOXODC-BRZRCAQJSA-N
Chemical Structure
2D Structure
2D structure of Unii-H1L2dsy2CM
CAS: 1286218-70-9
CID: 138756682
Formula: C22H22N8O6S4
MW: 622.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Exact Mass622.05451515
Monoisotopic Mass622.05451515
Topological Polar Surface Area319 Ų
Heavy Atom Count40
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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