AG000JL0

122841-12-7 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-, sulfate (1:1)

AG000JL0

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CAS Number	122841-12-7
Catalog Number	AG000JL0(AGN-PC-0PGQTW)
Chemical Name	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-, sulfate (1:1)
IUPAC Name	(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[2-(2-hydroxyethyl)-3-iminopyrazol-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sulfuric acid
InChI	InChI=1S/C19H22N8O6S2.H2O4S/c1-33-24-12(10-8-35-19(21)22-10)15(29)23-13-16(30)27-14(18(31)32)9(7-34-17(13)27)6-25-3-2-11(20)26(25)4-5-28;1-5(2,3)4/h2-3,8,13,17,20,28H,4-7H2,1H3,(H2,21,22)(H,23,29)(H,31,32);(H2,1,2,3,4)/b20-11?,24-12-;/t13-,17-;/m1./s1
InChI Key	LZOLCSVRFKCSEM-ZQCAECPKSA-N
MDL Number	MFCD01940015
Molecular Formula	C19H24N8O10S3
Molecular Weight	620.6365
SMILES	S(=O)(=O)(O)O.C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C=3N=C(N)SC3)=O)C2=O)(SCC1CN4N(CCO)C(=N)C=C4)[H]
UNII	6EY42207VS
Synonyms	cefoselis, FK 037, FK-037, FK037, Cefoselis sulfate, Cefoselis (sulfate), 122841-12-7, FK-037, UNII-6EY42207VS, 6EY42207VS, FK 037, FK037, Cefoselis-sulfate, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))-, sulfate (salt) (1:1), Winsef (TN), FK 037 Sulfate, FK-037 Sulfate, Cefoselis sulfate (JAN), SCHEMBL1649696, CHEBI:34616, HY-B0186B, AKOS030526082, xylic acid compound with sulfuric acid (1:1), D02232, 122841-12-7,122841-10-5(freebase),911212-25-4(HCl), (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((2-(2-hydroxyethyl)-3-imino-2,3-dihydro-1H-pyrazol-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo, (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((2-(2-hydroxyethyl)-3-imino-2,3-dihydro-1H-pyrazol-1-yl)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid compound with sulfuric acid (1:1), 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-[[2,3-dihydro-2-(2-hydroxyethyl)-3-imino-1H-pyrazol-1-yl]methyl]-8-oxo-, (6R,7R)-, sulfate (1:1), Cefoselis, Winsef, CID9830519, CS-2072, A10189, C079769,

Complexity	1100
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Exact Mass	620.078g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	620.627g/mol
Monoisotopic Mass	620.078g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	334A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number