Products for Research Use Only
RegisterLogin

Ceftaroline Fosamil Impurity 6

CAT: 1596-AR-C02036-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-C02036-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1286218-68-5
Synonyms
(6R,6'R,7R,7'R) -7,7'- (((2Z,2'Z) -2,2'- (5,5'- ((hydroxy ((hydroxyhydrophosphoryl) oxy) phosphoryl) bis (azanediyl) ) bis (1,2,4-thiadiazole-5,3-diyl) ) bis (2- (ethoxyimino) acetyl) ) bis (azanediyl) ) bis (3- ((4- (1-methylpyridin-1-ium-4-yl) thiazol-2-yl) thio) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate)
Molecular Formula
C44H40N16O15P2S8
Molecular Weight
1351.37
API Name
Ceftaroline Fosamil

Chemical Information

(6R,7R)-7-[[(2Z)-2-[5-[[[[[3-[(Z)-C-[[(6R,7R)-2-carboxylato-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-N-ethoxycarbonimidoyl]-1,2,4-thiadiazol-5-yl]amino]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]-1,2,4-thiadiazol-3-yl]-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Number1286218-68-5
PubChem CID58196376
IUPAC Name(6R,7R)-7-[[(2Z)-2-[5-[[[[[3-[(Z)-C-[[(6R,7R)-2-carboxylato-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-N-ethoxycarbonimidoyl]-1,2,4-thiadiazol-5-yl]amino]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]-1,2,4-thiadiazol-3-yl]-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC44H40N16O15P2S8
Molecular Weight1351.4
XLogP6.7
Topological Polar Surface Area629
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count33
Rotatable Bond Count22
Heavy Atom Count85
Formal Charge0
Complexity2630
SMILES
CCO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])SC3=NC(=CS3)C4=CC=[N+](C=C4)C)/C5=NSC(=N5)NP(=O)(OP(=O)(O)NC6=NC(=NS6)/C(=N/OCC)/C(=O)N[C@@H]7C(=O)N8[C@@H]7SCC(=C8C(=O)[O-])SC9=NC(=CS9)C1=CC=[N+](C=C1)C)O
InChI
InChI=1S/C44H40N16O15P2S8/c1-5-73-51-25(33(61)47-27-35(63)59-29(39(65)66)23(17-78-37(27)59)82-43-45-21(15-80-43)19-7-11-57(3)12-8-19)31-49-41(84-55-31)53-76(69,70)75-77(71,72)54-42-50-32(56-85-42)26(52-74-6-2)34(62)48-28-36(64)60-30(40(67)68)24(18-79-38(28)60)83-44-46-22(16-81-44)20-9-13-58(4)14-10-20/h7-16,27-28,37-38H,5-6,17-18H2,1-4H3,(H6-2,47,48,49,50,53,54,55,56,61,62,65,66,67,68,69,70,71,72)/b51-25-,52-26-/t27-,28-,37-,38-/m1/s1
InChIKey
YNGWJJMXBLEIJQ-AFGYKVCNSA-N
Chemical Structure
2D Structure
2D structure of (6R,7R)-7-[[(2Z)-2-[5-[[[[[3-[(Z)-C-[[(6R,7R)-2-carboxylato-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]-N-ethoxycarbonimidoyl]-1,2,4-thiadiazol-5-yl]amino]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]-1,2,4-thiadiazol-3-yl]-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS: 1286218-68-5
CID: 58196376
Formula: C44H40N16O15P2S8
MW: 1351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1351.4
XLogP36.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count33
Rotatable Bond Count22
Exact Mass1350.0099980
Monoisotopic Mass1350.0099980
Topological Polar Surface Area629 Ų
Heavy Atom Count85
Formal Charge0
Complexity2630
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-Z00978-01Ceftaroline Fosamil Impurity
AR-C02046-01Ceftaroline Fosamil Impurity 16
AR-C02044-01Ceftaroline Fosamil Impurity 14
AR-C02043-01Ceftaroline Fosamil Impurity 13
AR-C02042-01Ceftaroline Fosamil Impurity 12
AR-C06769-01Ceftaroline Fosamil Impurity 31
AR-C06777-01Ceftaroline Fosamil Impurity 25 and Ceftaroline Fosamil Impurity 26 (Equilibrium Form)
AR-C02038-01Ceftaroline Fosamil Impurity 8
AR-C02052-01Ceftaroline Fosamil Impurity 21
AR-C02048-01Ceftaroline Fosamil Impurity 18

Alternative Products

CatalogName
RM-C061901-01Ceftaroline Fosamil Impurity A
RM-C061927-01Ceftaroline Fosamil Impurity 17
RM-C061914-01Ceftaroline Fosamil Impurity 4
RM-C061922-01Ceftaroline Fosamil Impurity 12
RM-C061921-01Ceftaroline Fosamil Impurity 11
RM-C061916-01Ceftaroline Fosamil Impurity 6
RM-C061928-01Ceftaroline Fosamil Impurity 18
RM-C061925-01Ceftaroline Fosamil Impurity 15
RM-C061923-01Ceftaroline Fosamil Impurity 13
RM-C061905-01Ceftaroline Fosamil Impurity E

Popular Products