AG00HC6L

111696-23-2 | 5-​Thia-​1-​azabicyclo[4.2.0]​oct-​2-​ene-​2-​carboxylic acid, 7-​[[(2Z)​-​2-​(2-​amino-​4-​thiazolyl)​-​2-​(methoxyimino)​acetyl]​amino]​-​3-​methyl-​8-​oxo-​, (2,​2-​dimethyl-​1-​oxopropoxy)​methyl ester, hydrochloride (1:1)​, (6R,​7R)​-

AG00HC6L

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CAS Number	111696-23-2
Catalog Number	AG00HC6L(AGN-PC-0P2DHN)
Chemical Name	5-​Thia-​1-​azabicyclo[4.2.0]​oct-​2-​ene-​2-​carboxylic acid, 7-​[[(2Z)​-​2-​(2-​amino-​4-​thiazolyl)​-​2-​(methoxyimino)​acetyl]​amino]​-​3-​methyl-​8-​oxo-​, (2,​2-​dimethyl-​1-​oxopropoxy)​methyl ester, hydrochloride (1:1)​, (6R,​7R)​-
IUPAC Name	2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
InChI	InChI=1S/C20H25N5O7S2.ClH/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4;/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26);1H/b24-11-;/t12-,16-;/m1./s1
InChI Key	XAAOHMIKXULDKJ-IZXJIOGHSA-N
MDL Number	MFCD00864931
Molecular Formula	C20H26ClN5O7S2
Molecular Weight	548.0327
SMILES	O=C(C(N12)=C(C)CS[C@]2([H])[C@H](NC(/C(C3=CSC(N)=N3)=N/OC)=O)C1=O)OCOC(C(C)(C)C)=O.[H]Cl
UNII	2YE9732GFU
Synonyms	7-(2 (2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-desacetoxyceph-3-em-4-carboxylic acid pivaloyloxymethyl ester, cefetamet pivaloyloxymethyl ester, cefetamet pivoxil, cefetamet pivoxyl, Ro 15-8075, Ro-15-8075, Cefetamet pivoxil hydrochloride, Cefyl, 111696-23-2, Ceftamet Pivoxil, UNII-2YE9732GFU, Globocef, Cefetamet pivoxil (hydrochloride), 2YE9732GFU, Cefetamet Pivoxil HCl, Ro 15-8075, Cefetametpivoxil, I06-1245, Cefyl (TN), CEMT-PI, AC1NUR7P, C20H25N5O7S2.HCl, CHEBI:31369, HY-B1894A, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride, (6R-(6-alpha,7-beta(Z)))-, Cefetamet (Pivaloyloxy)methyl Ester, MFCD00864931, AKOS025311433, Cefetamet pivoxil hydrochloride (JAN), CS-5197, DS-19418, H785, ST51053008, C13089, D01629, 696C232, (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid (2,2-Dimethyl-1-oxopropoxy)methyl Ester, 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride, 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-methyl-8-oxo-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,7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-methyl-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, monohydrochloride,(6R,7R)-, Cefetamet pivoxil, hydrochloride, Cefetamet pivoxyl, Cefetamet Pivoxile HCl, UNII-F6XA85N260, Cefetamet pivaloyloxymethyl ester, C20H25N5O7S2, C20-H25-N5-O7-S2, CID5489410, C20-H25-N5-O7-S2.Cl-H, 65243-33-6, 105629-49-0, 7-(2 (2-Aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-desacetoxyceph-3-em-4-carboxylic acid pivaloyloxymethyl ester,

Complexity	933
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Exact Mass	547.096g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	548.026g/mol
Monoisotopic Mass	547.096g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	216A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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