AG00855T

104010-37-9 | Ceftiofur sodium

AG00855T

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CAS Number	104010-37-9
Catalog Number	AG00855T(AGN-PC-0OSSHA)
Chemical Name	Ceftiofur sodium
IUPAC Name	sodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI	InChI=1S/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/b23-11-;/t12-,16-;/m1./s1
InChI Key	RFLHUYUQCKHUKS-JUODUXDSSA-M
MDL Number	MFCD01766184
Molecular Formula	C19H16N5NaO7S3
Molecular Weight	545.5444
SMILES	NC=1SC=C(N1)/C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])CSC(=O)C=1OC=CC1)=N/OC.[Na+]
UNII	NHI34IS56E
Synonyms	ceftiofur, ceftiofur hydrochloride, ceftiofur sodium, Naxcel, U 64279A, U-64279E, Ceftiofur sodium, Naxcel, 104010-37-9, Ceftiofur sodium salt, Ceftiofur (sodium), CCRIS 7601, Sodium ceftiofur, Ceftiofur monosodium salt, Ceftiofur sodium [USAN], U-64279E, UNII-NHI34IS56E, NHI34IS56E, CM 31-916, CHEBI:31383, Sodium (6R,7R)-7-(2-(2-amino-4-thiazolyl)glyoxylamido)-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, 7(sup 2)-(Z)-(O-methyloxime), 2-furoate (ester), 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, monosodium salt, (6R-(6alpha,7beta(Z)))-, PubChem13661, Ceftiofur sodium (TN), C19H16N5NaO7S3, Ceftiofur sodium (JAN/USAN), C19H16N5O7S3.Na, SCHEMBL2369906, CHEMBL2105998, HY-B0898, MFCD01766184, AKOS015998604, AN-6969, KS-1164, CM-31-916, LS-150021, ST2410497, C13143, D01682, (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, sodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, sodium (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, SODIUM, 3-Bromo-2,5-difluoropyridine, C19H17N5O7S3.Na, C19-H17-N5-O7-S3.Na, ACN-038373, CID9571073, CS-4362, 1211331-43-9, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-, monosodium salt, (6R,7R)-,

Complexity	952
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Exact Mass	545.011g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	545.535g/mol
Monoisotopic Mass	545.011g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	259A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H413-H317-H334
Packing Group
Precautionary statements	P261-P280-P284-P304+P340-P342+P311-P280g-P342+P311a-P501a
UN Code

Certificate of Analysis

Lot Number