AG01DGM3

63527-52-6 | (6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

AG01DGM3

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CAS Number	63527-52-6
Catalog Number	AG01DGM3(AGN-PC-0T8UJC)
Chemical Name	(6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
EC Number	264-299-1
IUPAC Name	(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI	InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
InChI Key	GPRBEKHLDVQUJE-QSWIMTSFSA-N
MDL Number	MFCD00864971
Molecular Formula	C16H17N5O7S2
Molecular Weight	455.4655
SMILES	C(C)(=O)OCC1=C(N2C([C@H]([C@H]2SC1)NC(\C(=N/OC)\C=1N=C(SC1)N)=O)=O)C(=O)O
UNII	N2GI8B1GK7
Synonyms	Benaxima, Biosint, Cefotaxim, Cefotaxime, Cefotaxime Sodium, Cefradil, Cephotaxim, Claforan, Fotexina, HR 756, HR-756, HR756, Kendrick, Klaforan, Primafen, Ru 24756, Ru-24756, Ru24756, Sodium, Cefotaxime, Taporin, cefotaxime, Cefotaxima, Cefotaximum, 63527-52-6, Cephotaxime, UNII-N2GI8B1GK7, Claforan, Cefotaxime acid, N2GI8B1GK7, Cefotaxim, CHEBI:204928, Cefotaxime [INN:BAN], Cefotaximum [INN-Latin], Cefotaxima [INN-Spanish], 60846-21-1, RU 24756, C16H17N5O7S2, Omnatax, Taxim, EINECS 264-299-1, RU 24662, (6r,7r)-3-(Acetyloxymethyl)-7-[[(2z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyimino-Ethanoyl]amino]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]oct-2-Ene-2-Carboxylic Acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R,7R)-, 4kot, (6R,7R)-3-(Acetoxymethyl)-7-(()-2-(2-amino-4-thiazolyl)-2-methoxyiminoglyoxylamino)-8-oco-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, (6R,7R)-, CE3, Cefotaxime (INN), Cefotaxim Hikma (TN), AC1NX3QV, Prestwick2_000139, Prestwick3_000139, Claforan (*Sodium salt*), CHEMBL1730, Lopac0_000278, BSPBio_000218, BPBio1_000240, SCHEMBL3731931, HMS2090M11, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(Z)))-, ZINC3830437, AC-217, MFCD00864971, AKOS015951267, DB00493, 3-(Acetyloxymethyl)-7-(((2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, AS-12690, BC206895, AB1009355, C06885, D07647, J90010, 527C526, BRD-K78364995-236-03-5, Di- poundg-chlorotetrakis[2,4-dimethyl-6-(2-quinolinyl-KN)phenyl-KC]di-iridium, (6R)-3-(Acetoxymethyl)-7alpha-[[(2-amino-4-thiazolyl)[(E)-methoxyimino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid, (6R,7R)-3-(acetoxymethyl)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-[(Acetyl-oxy)methyl]-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-[(acetyloxy)methyl]-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 1056874-43-1, 3-(Acetoxymethyl)-7beta-[(2-amino-4-thiazolyl)(methoxyimino)acetylamino]cepham-3-ene-4-carboxylic acid, Cephotaxim, Benaxima, Cefradil, Fotexina, Kendrick, Klaforan, Primafen, Biosint, Taporin, Sodium, Cefotaxime, CEFOTAXIME SODIUM, UNII-5KTC59K32X, CEFOTAXIME SODIUM SALT, HR 756, HR756, Ru24756, HR-756, Ru 25328, Ru-24756, ACN-039965, C16-H17-N5-O7-S2, CID5742673, Cefotaxime acid, 97% - 10MG 10mg, R 02-5328A, D002439, (6R,7R)-3-(acetoxymethyl)-7-((E)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 64485-93-4, (6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(E)))-, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, monosodium salt, (6R-(6alpha,7beta(Z)))-, 63527-53-7, CTX,

Complexity	833
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Exact Mass	455.057g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	455.46g/mol
Monoisotopic Mass	455.057g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	227A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H334
Packing Group	Ⅲ
Precautionary statements	P261-P280-P284-P304+P340-P342+P311
UN Code	UN 2811

Certificate of Analysis

Lot Number