AG003OQB

117467-28-4 | Cefditoren Pivoxil

AG003OQB

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CAS Number	117467-28-4
Catalog Number	AG003OQB(AGN-PC-0PAKPE)
Chemical Name	Cefditoren Pivoxil
IUPAC Name	2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI	InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6-,30-16-/t17-,21-/m1/s1
InChI Key	AFZFFLVORLEPPO-UVYJNCLZSA-N
MDL Number	MFCD00933166
Molecular Formula	C25H28N6O7S3
Molecular Weight	620.7208
SMILES	O=C(C(N12)=C(/C=CC3=C(C)N=CS3)CS[C@]2([H])[C@H](NC(/C(C4=CSC(N)=N4)=NOC)=O)C1=O)OCOC(C(C)(C)C)=O
UNII	78THA212DH
Synonyms	(-)-(6R,7R)-2,2-dimethylpropionyloxymethyl 7-((Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido)-3-((Z)-2-(4-methylthiazol-5-yl)ethenyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate, 7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(2-(4-methylthiazol-5-yl)ethenyl)cephem-4-carboxylic acid pivaloyloxymethyl ester, CDTR-PI, cefditoren pivoxil, ME 1207, ME-1207, Spectracef, cefditoren pivoxil, Spectracef, 117467-28-4, CDTR-PI, Cefditorin, Meiact, Cefditoren (pivoxil), Cefditoren PI voxil, Cefditoren pivaloyloxymethyl ester, Cefditoren Pivoxil [JAN], UNII-78THA212DH, CCRIS 7768, C25H28N6O7S3, ME1207, ME-1207, CEFDITORIN PIVOXIL, 78THA212DH, CHEBI:560555, ME 1207, cefditoren-pivoxil, (pivaloyloxy)methyl (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-((Z)-2-(4-methylthiazol-5-yl)vinyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, [(2,2-dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, [(2,2-dimethylpropanoyl)oxy]methyl 7beta-(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-3,4-didehydrocepham-4-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((1Z)-2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-,2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-(3(Z),6-alpha,7-beta-(Z)))-, pivaloyloxymethyl (+)-(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, NCGC00095175-01, Spectracef ;Meiact, MFCD00933166, PubChem21340, AC1O5OKO, Cefditoren pivoxil (JP17), DSSTox_CID_28669, DSSTox_RID_82939, DSSTox_GSID_48743, SCHEMBL182876, CHEMBL454446, Cefditoren pivoxil [USAN:JAN], DTXSID2048743, 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Tox21_113197, HY-17452A, s1768, AKOS025311444, CS-1949, (-)-(6R,7R)-2,2-dimethylpropionyloxymethyl 7-((Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido)-3-((Z)-2-(4-methylthiazol-5-yl)ethenyl)-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-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-(3(Z),6alpha,7beta(Z)))-, 7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(2-(4-methylthiazol-5-yl)ethenyl)cephem-4-carboxylic acid pivaloyloxymethyl ester, AN-10902, AS-12951, AT-20809, AB2000281, LS-150028, B2086, CAS-117467-28-4, D01628, AB01274730-01, AB01274730_02, 467C284, BRD-K72167406-001-03-9, 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(Z)-2-(4-methylthiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Cefditoren, cefditoren pivoxyl, Spectracef (TN), Meiact (TN), C25-H28-N6-O7-S3, CID6437877, C2856, A10188, C057710, 104145-95-1,

Complexity	1160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	2
Exact Mass	620.118g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	620.714g/mol
Monoisotopic Mass	620.118g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	257A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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