AG003OQ9

27164-46-1 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-, sodium salt (1:1), (6R,7R)-

AG003OQ9

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CAS Number	27164-46-1
Catalog Number	AG003OQ9(AGN-PC-0R2ZZJ)
Chemical Name	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[2-(1H-tetrazol-1-yl)acetyl]amino]-, sodium salt (1:1), (6R,7R)-
EC Number	248-278-4
IUPAC Name	sodium;(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI	InChI=1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1
InChI Key	FLKYBGKDCCEQQM-WYUVZMMLSA-M
MDL Number	MFCD00056883
Molecular Formula	C14H13N8NaO4S3
Molecular Weight	476.4890
SMILES	O=C([O-])C(N1[C@@]([H])([C@@H](C1=O)NC(CN2N=NN=C2)=O)SC3)=C3CSC4=NN=C(S4)C.[Na+]
UNII	P380M0454Z
Synonyms	Ancef, Cefamedin, Cefamezine, Cefazolin, Cefazolin Sodium, Cephamezine, Cephazolin, Cephazolin Sodium, Cephazolin, Sodium, Gramaxin, Kefzol, Sodium Cephazolin, Sodium, Cefazolin, Sodium, Cephazolin, Totacef, CEFAZOLIN SODIUM, Cefazoline sodium, Cefazolin sodium salt, 27164-46-1, Ancef, Sodium cefazolin, Sodium cephazolin, Kefzol, Sodium CEZ, Cefazolin (sodium), Monosodium cefazolin, Totacef, Cefamedin, Gramaxin, Cephazolin Sodium, Biazolina, Cefazil, Zolicef, UNII-P380M0454Z, Cefabiozim, Cefalomicina, Cefacidal, Lampocef, Neofazol, Zolisint, Recef, Zolin, MLS000028706, CHEBI:3483, Bor-Cefazol, CEZ sodium, MFCD00056883, Cefazina, Firmacef, Liviclina, Atirin, P380M0454Z, SMR000058708, Lilly 46083, SKF 41558, SK&F 41558, CEFAZOLIN AND DEXTROSE, ANCEF IN PLASTIC CONTAINER, EINECS 248-278-4, NSC 291561, SK&F-41558, ANCEF IN DEXTROSE 5% IN PLASTIC CONTAINER, ANCEF IN SODIUM CHLORIDE 0.9% IN PLASTIC CONTAINER, C14H13N8NaO4S3, cefazolin-sodium, Cefazolin sodium [USAN:USP:JAN], Sodium (6R,7R)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, sodium;(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Prestwick_975, Ancef (TN), sodium cefazolin(1-), Opera_ID_1323, SCHEMBL40735, SPECTRUM1500164, Cefazolin sodium (JP17/USP), Sodium CEZ; SKF-41558, CHEMBL1200523, HMS500A16, KS-00000FVS, FLKYBGKDCCEQQM-WYUVZMMLSA-M, ZX-AFC000519, HMS1570C14, HMS1920K07, HMS2091A10, HMS2097C14, HMS2230I22, HMS3260H10, HMS3714C14, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(((1H-tetrazol-1-yl)acetyl)amino)-, (6R-trans)-, sodium salt, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(((1H-tetrazol-1-yl)acetyl)amino)-, monosodium salt (6R-trans)-, HY-B1078, Monosodium (6R,7R)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(2-(1H-tetrazol-1-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, Sodium (6R-trans)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, Tox21_500274, CCG-40011, s4595, AKOS015895533, CS-4634, LP00274, MCULE-2075772357, Cefazolin sodium salt, 89.1-110.1%, NCGC00093731-01, NCGC00260959-01, AC-13166, AS-12230, ST024775, EU-0100274, C 5020, C08098, D00905, C-44235, I06-1090, Cefazolin sodium salt, Antibiotic for Culture Media Use Only, sodium (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, sodium (6R,7R)-7-(2-(1H-tetrazol-1-yl)acetamido)-3-((5-methyl-1,3,4-thiadiazol-2-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, sodium 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-7beta-[(1H-tetrazol-1-ylacetyl)amino]-3,4-didehydrocepham-4-carboxylate, sodium 7beta-(1H-tetrazol-1-yl)acetamido-3-(2-methyl-1,3,4-thiadiazol-5-yl)thiomethyl-3-cephem-4-carboxylate, sodium 7beta-[2-(1H-tetrazol-1-yl)-acetamido]-3-(2-methyl-1,3,4-thiadiazol-5-yl)thiomethyl-3-cephem-4-carboxylate, sodium 7beta-[2-(1H-tetrazol-1-yl)acetamido]-3-(2-methyl-1,3,4-thiadiazol-5-yl)thiomethyl-3-cephem-4-carboxylate, cefazolin, Acef, Cefazolin sodium [USAN:JAN], C14H14N8O4S3.Na, CID441387, C14-H13-N8-O4-S3.Na, CS-O-04000, C-2465, Cefazolin sodium salt, 95%, a first-generation cephalosporin antibiotic - 25G 25g, 3-(((5-Methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-7-(2-(1H-tetrazol-1-yl)acetamido)-3-cephem-4-carboxylate, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[(1H-tetrazol-1-ylacetyl)amino]-, monosodium salt, (6R-trans)-, Sodium (6R-trans)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,

Complexity	746
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	476.012g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	476.48g/mol
Monoisotopic Mass	476.012g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	238A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number