AG00IB3P

62893-19-0 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,(6R,7R)-

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CAS Number	62893-19-0
Catalog Number	AG00IB3P(AGN-PC-0T6I73)
Chemical Name	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,(6R,7R)-
IUPAC Name	(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI	InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1
InChI Key	GCFBRXLSHGKWDP-XCGNWRKASA-N
MDL Number	MFCD17171280
Molecular Formula	C25H27N9O8S2
Molecular Weight	645.6674
SMILES	O=C(C(N12)=C(CSC3=NN=NN3C)CS[C@]2([H])[C@H](NC([C@H](NC(N4C(C(N(CC)CC4)=O)=O)=O)C5=CC=C(O)C=C5)=O)C1=O)O
UNII	7U75I1278D
Synonyms	Céfobis, Cefobid, Cefoperazon, Cefoperazone, Cefoperazone Sodium, Cefoperazone Sodium Salt, Salt, Cefoperazone Sodium, Sodium Salt, Cefoperazone, Sodium, Cefoperazone, T 1551, T-1551, T1551, cefoperazone, 62893-19-0, Cefoperazine, Cefoperazono, Cefoperazonum, Cefobid, Medocef, Cefob, UNII-7U75I1278D, Cefoperazone (Cefobid), CHEBI:3493, GCFBRXLSHGKWDP-XCGNWRKASA-N, MFCD00865067, 7U75I1278D, Cefoperazone [INN:BAN], Cefobid (TN), Cefoperazon, Cefoperazone acid, C25H27N9O8S2, Cefozon, EINECS 263-749-4, 62893-20-3, BRN 0603333, CP 52640, (6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinylcarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure, Bioperazone, Myticef, Pathozone, Cefoperazone,(S), cefoperazone-cefobid, Cefoperazone (INN), AC1L2BAX, Prestwick0_000327, Prestwick1_000327, Prestwick2_000327, Prestwick3_000327, Peracef [veterinary] (TN), SCHEMBL37056, BSPBio_000333, BIDD:GT0677, SPBio_002254, BPBio1_000367, CHEMBL507674, DTXSID2022759, HMS2090M09, C25H31N9O10S2, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-, HY-B0210, ZINC3830432, BDBM50390999, s1611, AKOS015895629, CS-2155, NCGC00179599-01, AS-13298, H832, SC-18373, AB0013293, FT-0603039, SW198793-3, Y0421, C06883, D07645, 127501-EP2272832A1, 127501-EP2295402A2, 893C190, C-23402, Cefoperazone, Antibiotic for Culture Media Use Only, BRD-K02292852-335-03-1, (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-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, 7-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-,(6R,7R)-, 7beta-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl-3,4-didehydrocepham-4-carboxylic acid, sodium,(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, biocefazon, cephaperazon, Tomabef, Cefoperazone dihydrate, Sodium cefoperazone, CEFONICID, CEFOPERAZONE SODIUM, 2-amino-4-pyrimidinol, Cefoperazonum [INN-Latin], Cefoperazono [INN-Spanish], UNII-5FQG9774WD, C25H26N9NaO8S2, C25H27N9O8S2.Na, Cefoperazone sodium [USAN:JAN], CEFOBID IN PLASTIC CONTAINER, CID44187, EINECS 263-751-5, Cefoperazone sodium [USAN:USP:JAN], C25-H26-N9-O8-S2.Na, ACN-039964, C25-H27-N9-O8-S2, A8392, C2768, CP 52640-2, C-2485, T 1551, T-1551, 113826-44-1, CPZ, (6R,7R)-7-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-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, 7-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, [6R-[6.alpha.,7.beta.(R*)]]-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, [6R-[6.alpha.,7.beta.(R*)]]-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, monosodium salt, [6R-[6alpha,7beta(R*)]]-, 83512-85-0, Sodium (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)-2-(p-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate,

Complexity	1250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	645.142g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	645.666g/mol
Monoisotopic Mass	645.142g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	271A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number