AG00HAAG

104146-10-3 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-,(4-methoxyphenyl)methyl ester, (6R,7R)-

AG00HAAG

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	104146-10-3
Catalog Number	AG00HAAG(AGN-PC-0OSZ1G)
Chemical Name	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-,(4-methoxyphenyl)methyl ester, (6R,7R)-
IUPAC Name	(4-methoxyphenyl)methyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI	InChI=1S/C24H23ClN2O5S/c1-31-18-9-7-16(8-10-18)13-32-24(30)21-17(12-25)14-33-23-20(22(29)27(21)23)26-19(28)11-15-5-3-2-4-6-15/h2-10,20,23H,11-14H2,1H3,(H,26,28)/t20-,23-/m1/s1
InChI Key	KFCMZNUGNLCSJQ-NFBKMPQASA-N
MDL Number	MFCD00191253
Molecular Formula	C24H23ClN2O5S
Molecular Weight	486.9678
SMILES	COC1=CC=C(COC(C2=C(CS[C@@H]3[C@H](NC(CC4=CC=CC=C4)=O)C(N23)=O)CCl)=O)C=C1
UNII	T517UKN60D
Synonyms	GCLE, 104146-10-3, UNII-T517UKN60D, 4-Methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate, (6R,7R)-4-Methoxybenzyl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, C24H23ClN2O5S, T517UKN60D, 7-Phenylacetamido-3-chloromethyl-3-cephem-4-carboxylic acid-p-methoxybenzyl ester, 7-Phenylacetamido-3-chloromethylcephem-4-carbonic acid p-methoxybenzyl ester, 5-Thia-1-azabicyclo(4,2,0)oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-8-oxo-7-((phenylacetyl)amino)-, (4-methoxyphenyl)methyl ester, (6R-trans)-, (4-methoxyphenyl)methyl (6R,7R)-3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, 1214081-14-7, CHEMBL385813, SCHEMBL6281688, KS-00000IMT, KFCMZNUGNLCSJQ-NFBKMPQASA-N, MFCD00191253, ZINC21297251, AKOS015919832, AKOS024258507, AKOS032960711, CM-1031, CS-W019349, AJ-78098, AJ-78099, AS-15035, BR-27122, N722, LS-150042, M2411, ST24032814, S-3215, 146G103, p-Methoxybenzyl 7beta-phenylacetamido-3-chloromethyl-3-cephem-4-carboxylate, p-methoxybenzyl 7beta-phenylacetamido-3-chloromethyl-3-cephem-4carboxylate, (6R, 7R)-7-phenylacetamido-3-chloromethylceph-3-em-4-carboxylic acid p-methoxybenzyl ester, 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester, 7beta-phenylacetamido-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester, (4-Methoxyphenyl)methyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, (6R,6beta)-3-Chloromethyl-8-oxo-7alpha-(phenylacetylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-methoxybenzyl ester, 4-Methoxybenzyl (6R,7R)-3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-,(4-methoxyphenyl)methyl ester, (6R,7R)-, C24-H23-Cl-N2-O5-S, CID10874591, CID 11038244, EC 403-040-0, (6S)-4-Methoxybenzyl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, 7-Phenylacetamide-3-chlorormethyl-3-cepham-4-carboxylic Acid P-meth-oxybenzyl-ester, 4-Methoxybenzyl 3-chloromethyl-5-oxo-6-phenylacetamido-(2H)5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, 4-methoxybenzyl 3-chloromethyl-5-oxo-6-phenylacetamido-(2H)5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,

Complexity	777
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	486.102g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	486.967g/mol
Monoisotopic Mass	486.102g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number