AG002MUS

23325-78-2 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-, hydrate (1:1), (6R,7R)-

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CAS Number	23325-78-2
Catalog Number	AG002MUS(AGN-PC-0QZNVG)
Chemical Name	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-, hydrate (1:1), (6R,7R)-
EC Number	239-773-6
IUPAC Name	(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
InChI	InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1
InChI Key	AVGYWQBCYZHHPN-CYJZLJNKSA-N
MDL Number	MFCD00167148
Molecular Formula	C16H19N3O5S
Molecular Weight	365.4042
SMILES	O=C(C(N12)=C(C)CS[C@]2([H])[C@H](NC([C@H](N)C3=CC=CC=C3)=O)C1=O)O.O
UNII	OBN7UDS42Y
Synonyms	5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta(R*)))-, Cefalexin, Cephalexin, Cephalexin Dihydride, Cephalexin Hemihydrate, Cephalexin Hydrochloride, Cephalexin Monohydrate, Cephalexin Monohydrochloride, Cephalexin Monohydrochloride, Monohydrate, Cephalexin, (6R-(6alpha,7alpha(R*)))-Isomer, Cephalexin, (6R-(6alpha,7beta(S*)))-Isomer, Cephalexin, (6R-(6alpha,7beta))-Isomer, Cephalexin, Monosodium Salt, Cephalexin, Monosodium Salt, (6R-(6alpha,7beta))-Isomer, Ceporexine, Palitrex, Cephalexin monohydrate, Cephalexin hydrate, 23325-78-2, cefalexin monohydrate, Aristosporin, Cefalexgobens, Cephalobene, Adcadina, Azabort, Bactopenor, Cefacet, Cefalekey, Cefalival, Cefibacter, Domucef, Doriman, Efemida, Karilexina, Loisine, Losporal, Maksipor, Medolexin, Prindex, Rilexine, Rogevil, Servicef, Sintolexyn, Theratrex, Viosporine, Zabytrex, Beliam, Noveol, Ambal, cefalexin hydrate, Cephalex von ct, Henina Oral, Cefalexina Richet, Cefalexin generics, Cefalexina Northia, Cusisporina-Cefalox, Keforal, Cephalexin 1-wasser, Cefalexin Scand Pharm, Ceffanex, Cephalexin (monohydrate), UNII-OBN7UDS42Y, cephalexin.H2O, cefalexin.H2O, Cephalexin monhydrochloride, OBN7UDS42Y, 7-(D-alpha-Amino-alpha-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid monohydrate, CHEBI:3535, Cephalexin [USAN:BAN], SQ 20248, 15686-71-2, Keftab (TN), (6R,7R)-7-((R)-2-amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate, Panixine, (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monohydrate, (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--water (1/1), 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((aminophenylacetyl)amino)-3-methyl-8-oxo-, monohydrate (6R-(6alpha,7beta(R*)))-, 7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid--water (1/1), Ades[prex, (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate, Cephalexin (USP), Prestwick_750, Cephalexin(Cefalexin)/, Cephalexin [USAN:USP], Panixine disperdose (TN), AC1L1Y1M, 7-(d-a-Aminophenylacetamido)desacetoxycephalosporanic acid, SCHEMBL41911, CHEMBL1200544, HY-B0200B, AVGYWQBCYZHHPN-CYJZLJNKSA-N, HMS1569G17, HMS2096G17, ABP000540, MFCD00167148, AKOS016340340, CS-2139, KS-1134, CPD002204045, SAM001246761, SC-74095, LS-173992, FT-0603007, ST24046299, A-8051, C08099, D00906, SR-01000759406, SR-01000759406-3, (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-, hydrate (1:1), (6R,7R)-, cephalexin, Cefalexin, Sinthecillin, Palitrex, Keflet, Keflex, Carnosporin, Cefaleksin, Cefalessina, Cefalexina, Cefalexine, Cefalexinum, Cefaseptin, Cephacillin, Cephalexine, Cephalexinum, Cephanasten, Ceporexine, Cophalexin, Kefalospes, Lexibiotico, Ortisporina, Sencephalin, Tokiolexin, Alcephin, Alsporin, Cefablan, Cefadina, Cefaloto, Cepastar, Cephaxin, Ceporexin, Durantel, Erocetin, Factagard, Inphalex, Kekrinal, Lafarine, Lopilexin, Madlexin, Mamalexin, Mamlexin, Medoxine, Neolexina, Novolexin, Sartosona, Servispor, Sialexin, Sporicef, Sporidex, Uphalexin, Zozarine, Cefadal, Cefadin, Cefalin, Ceforal, Cefovit, Celexin, Cepexin, Ceporex, Cerexin, Felexin, Ibrexin, Kefolan, Kidolex, Larixin, Lenocef, Lonflex, Optocef, Oriphex, Ospexin, Pectril, Pyassan, Sanaxin, Sepexin, Tepaxin, Alexin, Biocef, Ceflax, Cephin, Ibilex, Neokef, Oracef, Oroxin, Roceph, Syncle, Synecl, Voxxim, Winlex, Cefax, Cepol, Check, Fexin, Nufex, Syncl, Cefa-iskia, Ceporex Forte, Roceph Distab, Mixture Name, Ceporexin-E, Durantel DS, L-Keflex, Panixine Disperdose, Cephalexin anhydrous, Ed A-Ceph, Cefalessina [DCIT], Lilly 66873, Cefalexine [INN-French], Cefalexinum [INN-Latin], Cefalexina [INN-Spanish], C16H17N3O4S, UNII-5SFF1W6677, C16H17N3O4S.H2O, HSDB 3022, CID62921, EINECS 239-773-6, C16-H17-N3-O4-S, CS-O-03999, BRN 0965503, C16-H17-N3-O4-S.H2-O, Cephalexin monohydrate, 98% - 25G 25g, B1078, S 6437, 7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid, 7-(D-2-Amino-2-phenylacetamido)-3-methyl-delta3-cephem-4-carboxylic acid, 7-(D-2-Amino-2-phenylacetamido)-3-methyl-delta (sup 3)-cephem-4- carboxylic acid, 7-beta-(D-alpha-Amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid, (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-carboxylic acid monohydrate, (6R,7R)-7-((R)-2-Amino-2-phenylacetamido)-3-methyl-8-oxo-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, 7-(2-amino-2-phenylacetamido)-3-methyl-8-oxo-, D-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, [6R-[6.alpha.,7.beta.(R*)]]-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, monohydrate, [6R-[6.alpha.,7.beta.(R*)]]-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, (6R,7R)-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-aminophenylacetyl]amino]-3-methyl-8-oxo-, monohydrate, (6R,7R)-, CEX,

Complexity	600
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	365.105g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	365.404g/mol
Monoisotopic Mass	365.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P272-P280-P302+P352+P333+P313+P363-P501
UN Code

Certificate of Analysis

Lot Number