AG003OQF

52152-93-9 | CEFSULODIN SODIUM SALT, HYDRATE

AG003OQF

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CAS Number	52152-93-9
Catalog Number	AG003OQF(AGN-PC-0SC96U)
Chemical Name	CEFSULODIN SODIUM SALT, HYDRATE
EC Number	257-692-4
IUPAC Name	sodium;(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI	InChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17-,21-;/m1./s1
InChI Key	REACMANCWHKJSM-DWBVFMGKSA-M
MDL Number	MFCD29472517
Molecular Formula	C22H19N4NaO8S2
Molecular Weight	554.5280
SMILES	O=C(N[C@H]1[C@@]2([H])SCC(C[N+]3=CC=C(C(N)=O)C=C3)=C(C([O-])=O)N2C1=O)[C@@H](C4=CC=CC=C4)S(=O)([O-])=O.[Na+]
UNII	2D087186PY
Synonyms	Abbott 46811, Cefsulodin, Cefsulodin Monosodium Salt, Cefsulodin Sodium, CGP 7174 E, CGP-7174-E, CGP7174E, Monaspor, Monosodium Salt, Cefsulodin, Pyocefal, SCE 129, SCE-129, SCE129, Sodium, Cefsulodin, cefsulodin sodium, Sulcephalosporin, 52152-93-9, Cefsulodine sodium, Cefsulodin sodium salt hydrate, Cefsulodin (sodium), Cefomonil, CEFSULODIN SODIUM SALT, Abbott-468 11, cefsulodin, Pseudomonil, UNII-2D087186PY, CGP 7174E, SCE 129, Abbott 46811, Abbott-46811, Monaspor, Pseudocef, Takesulin, Tilmapor, CHEBI:31380, Pyocefal, Ulfaret, 2D087186PY, Cefsulodin sodium [USAN:JAN], Takesulin (TN), MFCD07793338, EINECS 257-692-4, CGP-7174/E, cefsulodin-sodium, Prestwick_977, C22H20N4O8S2, AC1LCVCA, 4-Carbamoyl-1-(((6R,7R)-2-carboxy-8-oxo-7-((2R)-2-phenyl-2-sulfoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)pyridinium hydroxide, inner salt, monosodium salt, SCHEMBL1648651, Cefsulodin Sodium Salt, Hydrate, CHEMBL1590946, Cefsulodin sodium (JP17/USAN), CGP-71741E, HMS1570D09, HMS2097D09, HMS3260D20, HMS3714D09, Pyridinium, 4-(aminocarbonyl)-1-(((6R,7R)-2-carboxy-8-oxo-7-(((2R)-2-phenyl-2-sulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt, sodium salt (1:1), Pyridinium, 4-(aminocarbonyl)-1-(((6R,7R)-2-carboxy-8-oxo-7-(((2R)-phenylsulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt, monosodium salt, Tox21_500259, 62587-73-9 (acid), 41444-66-0 (anhy.), AKOS015896482, CCG-220814, CCG-221563, CS-5305, LP00259, NCGC00093718-01, NCGC00093718-02, NCGC00260944-01, AN-11160, HY-13588, U595, EU-0100259, FT-0603025, 4-Carbamoyl-1-(((6R,7R)-2-carboxy-8-oxo-7-((2R)-2-phenyl-2-sulfoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methylpyridinium hydroxide, inner salt, monosodium salt, Hydrogen (6R-(6alpha,7beta(R*)))-4-carbamoyl-1-((2-carboxylato-8-oxo-7-(phenylsulphonatoacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)pyridinium, monosodium salt, Pyridinium, 4-(aminocarbonyl)-1-((2-carboxy-8-oxo-7-((phenylsulfoacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, monosodium salt, (6R-(6alpha,7beta(R*))), Pyridinium, 4-(aminocarbonyl)-1-((2-carboxy-8-oxo-7-((phenylsulfoacetyl)amino)-5-thio-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, monosodium salt, (6R-(6-alpha,7-beta(R*)))-, C 8145, C13505, D02005, I06-1905, (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonato-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (6R,7R)-3-{[4-(aminocarbonyl)pyridinium-1-yl]methyl}-8-oxo-7-{[phenyl(sulfo)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate sodium salt hydrate, sodium (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonato-acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, sodium (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfonatoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, sodium 4-carbamoyl-1-{[(6R,7R)-2-carboxylato-8-oxo-7-[(2R)-2-phenyl-2-sulfonatoacetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium, Cefsulodinesodium, Cefsoludin sodium, SODIUM, D0Q8XH, C22H19N4NaO8S2, C22H20N4O8S2.Na, CID656644, C22-H20-N4-O8-S2.Na, Cefsulodin sodium salt, 98% - 1G 1g, C2598, CFS, Hydrogen [6R-[6alpha,7beta(R*)]]-4-carbamoyl-1-[[2-carboxylato-8-oxo-7-(phenylsulphonatoacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinium, monosodium salt, Pyridinium, 4-(aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-phenylsulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt, monosodium salt, Pyridinium, 4-(aminocarbonyl)-1-[[2-carboxy-8-oxo-7-[(phenylsulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, hydroxide, inner salt, monosodium salt, [6R-[6.alpha.,7.beta.(R*)]]-,

Complexity	1040
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	554.054g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	554.524g/mol
Monoisotopic Mass	554.054g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	227A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number