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Ceftaroline Fosamil Impurity 10

CAT: 1596-AR-C02040-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C02040-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1286218-72-1
Synonyms
(6R,7R) -7- ((Z) -2- (ethoxyimino) -2- (5- (phosphonoamino) -1,2,4-thiadiazol-3-yl) acetamido) -8-oxo-3- ((4- (pyridin-4-yl) thiazol-2-yl) thio) -5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula
C21H19N8O8PS4
Molecular Weight
670.66
API Name
Ceftaroline Fosamil

Chemical Information

Desmethyl Ceftaroline Fosamil
CAS Number1286218-72-1
PubChem CID118656442
IUPAC Name(6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC21H19N8O8PS4
Molecular Weight670.7
XLogP1.5
Topological Polar Surface Area337
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count11
Heavy Atom Count42
Formal Charge0
Complexity1190
SMILES
CCO/N=C(/C1=NSC(=N1)NP(=O)(O)O)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=NC=C5)C(=O)O
InChI
InChI=1S/C21H19N8O8PS4/c1-2-37-26-12(15-25-20(42-28-15)27-38(34,35)36)16(30)24-13-17(31)29-14(19(32)33)11(8-39-18(13)29)41-21-23-10(7-40-21)9-3-5-22-6-4-9/h3-7,13,18H,2,8H2,1H3,(H,24,30)(H,32,33)(H3,25,27,28,34,35,36)/b26-12-/t13-,18-/m1/s1
InChIKey
KNFZNJURPUBKOA-VKKUPRKASA-N
Chemical Structure
2D Structure
2D structure of Desmethyl Ceftaroline Fosamil
CAS: 1286218-72-1
CID: 118656442
Formula: C21H19N8O8PS4
MW: 670.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight670.7
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count18
Rotatable Bond Count11
Exact Mass669.99463129
Monoisotopic Mass669.99463129
Topological Polar Surface Area337 Ų
Heavy Atom Count42
Formal Charge0
Complexity1190
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes