AG01CCHV

66592-87-8 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-,monohydrate, (6R,7R)-

AG01CCHV

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CAS Number	66592-87-8
Catalog Number	AG01CCHV(AGN-PC-0TLANI)
Chemical Name	5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-,monohydrate, (6R,7R)-
IUPAC Name	(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
InChI	InChI=1S/C16H17N3O5S.H2O/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8;/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24);1H2/t10-,11-,15-;/m1./s1
InChI Key	NBFNMSULHIODTC-CYJZLJNKSA-N
MDL Number	MFCD00865091
Molecular Formula	C16H19N3O6S
Molecular Weight	381.4036
SMILES	O=C(C(N12)=C(C)CS[C@]2([H])[C@H](NC([C@H](N)C3=CC=C(O)C=C3)=O)C1=O)O.[H]O[H]
UNII	280111G160
Synonyms	4 Hydroxycephalexin, 4-Hydroxycephalexin, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta(R*)))-, Bidocef, BL S 578, BL S578, BL-S 578, BL-S578, BLS 578, BLS578, Cefadroxil, Cefadroxil Anhydrous, Cefadroxil Monohydrate, Cephadroxyl, Duricef, S 578, S-578, S578, Ultracef, Cefadroxil monohydrate, 66592-87-8, Cefadroxil 1-wasser, Bidocel, Moxacef Kapseln, Baxan Kapseln, Cefos Granulat, Kefroxil Kapseln, Omnidrox Kapseln, Duricef, Ultracef, UNII-280111G160, MJF 11567-3, BL-S 578, Cefadroxil hydrate, BL-S578, (6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monohydrate, 280111G160, Bidocef, Duracef, Baxan, Cefa-Drops, (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]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)-amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, monohydrate, (6R,7R)-, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, monohydrate, (6R-(6alpha,7beta(R*)))-, MJF-11567-3, Cefadroxil [USAN:INN:BAN:JAN], (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate, Cefadroxil (USP), Duricef (TN), Cefadroxil [USAN:USP:INN:BAN:JAN], AC1Q6LOB, AC1L2J3L, SCHEMBL33620, p-Hydroxycephalexine Monohydrate, CHEBI:53667, CTK8F8513, NBFNMSULHIODTC-CYJZLJNKSA-N, AKOS015896360, AN-38430, CC-25549, LS-149957, FT-0082620, D02353, C-23838, I06-1925, (6R,7R)-7-[[(2R)-Amino-(4-hydroxyphenyl)acetyl]amino]-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-(4-hydroxyphenyl)acetyl]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-((amino(4-hydroxyphenyl)acetyl)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)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-,monohydrate, (6R,7R)-, 7beta-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid--water (1/1), cefadroxil, Cefadroxil, [3H], C16H17N3O5S.H2O, C16H17N3O5S, Cefadroxil [USAN:BAN:INN:JAN], CID47964, CS-O-03997, C16-H17-N3-O5-S.H2-O, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, monohydrate, (6R,7R)-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, monohydrate, [6R-[6.alpha.,7.beta.(R*)]]-,

Complexity	629
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	381.099g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	381.403g/mol
Monoisotopic Mass	381.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	159A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

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