AG00I9RH

54639-48-4 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-, diphenylmethyl ester,(6R,7R)-

AG00I9RH

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CAS Number	54639-48-4
Catalog Number	AG00I9RH(AGN-PC-0SHR3K)
Chemical Name	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-, diphenylmethyl ester,(6R,7R)-
IUPAC Name	benzhydryl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI	InChI=1S/C28H24N2O5S/c31-21-17-36-27-23(29-22(32)16-18-10-4-1-5-11-18)26(33)30(27)24(21)28(34)35-25(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23,25,27,31H,16-17H2,(H,29,32)/t23-,27-/m1/s1
InChI Key	HJINVAQLVZRFTL-YIXXDRMTSA-N
MDL Number	MFCD00191259
Molecular Formula	C28H24N2O5S
Molecular Weight	500.5656
SMILES	O=C(C(N12)=C(O)CS[C@]2([H])[C@H](NC(CC3=CC=CC=C3)=O)C1=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
Synonyms	54639-48-4, (6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, GHYH, (6R,7R)-3-Hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenyl methyl ester, 7-Phenyl acetamido-3-hydroxy-3-cephem-4-carboxylic acid diphenylmethyl ester, C28H24N2O5S, HJINVAQLVZRFTL-YIXXDRMTSA-N, SCHEMBL9698012, CTK8B6259, DTXSID40716259, BCP12087, ANW-53154, MFCD00191259, ZINC21991808, AKOS015888296, AC-7595, AN-8875, AJ-79730, AK-91614, AS-11706, SC-17349, AB0010591, TC-141899, FT-0640265, ST24034953, J10211, 639P484, C-22942, 7-PHENYLACETAMIDE-3-HYDROXY-3-CEPHEM-4-CARBOXYLIC, Benzhydryl 7beta-phenylacetamido-3-hydroxy-ceph-3-em-4-carboxylate, Benzhydryl 7beta-[(phenylacetyl)amino]-3-hydroxy-3-cephem-4-carboxylate, 3-Hydroxy-7beta-(phenylacetylamino)cepham-3-ene-4-carboxylic acid diphenylmethyl ester, 3-hydroxy-7beta-phenylacetylamino-3-cephem-4-carboxylic acid diphenylmethyl ester, (6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-, diphenylmethyl ester,(6R,7R)-, 6R,7R)-3-Hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenyl methyl ester, Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, N-[(2E,6R,7R)-2-[benzhydryloxy(hydroxy)methylene]-3,8-dioxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenyl-acetamide, 3-hydroxycephem, CID11081623, CID 11081623, EC 611-177-4, (6R,7R)-3-Hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azab icyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenyl methyl ester, (6R,7R)-Benzhydryl 3-hydroxy-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, -3-Hydroxy-8-oxo-7-[ amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicaciddiphenylmethylester, 3-OH/(6r,7r)-3-hydroxy-8-oxo-7-((phenylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid diphenyl methyl ester, Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-((phenylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate., diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.,

Complexity	840
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	500.141g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	500.569g/mol
Monoisotopic Mass	500.141g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number