AG0011JO

133040-01-4 | 2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (αE)-

AG0011JO

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CAS Number	133040-01-4
Catalog Number	AG0011JO(AGN-PC-0PJWBM)
Chemical Name	2-Thiophenepropanoic acid, α-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (αE)-
IUPAC Name	4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid
InChI	InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
InChI Key	OROAFUQRIXKEMV-LDADJPATSA-N
MDL Number	MFCD00897872
Molecular Formula	C23H24N2O4S
Molecular Weight	424.5127
SMILES	CCCCC1N(CC2=CC=C(C(O)=O)C=C2)C(/C=C(/C(O)=O)CC2SC=CC=2)=CN=1
UNII	2KH13Z0S0Y
Synonyms	eprosartan, SK and F 108566, SKF-108566, Teveten, Eprosartan, 133040-01-4, Teveten, SK&F 108566, SK&F-108566, UNII-2KH13Z0S0Y, (E)-4-((2-Butyl-5-(2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl)-1H-imidazol-1-yl)methyl)benzoic acid, (E)-2-Butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid, CHEMBL813, SK-108566, 2KH13Z0S0Y, CHEBI:4814, 4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid, (E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid, (E)-alpha{[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazole-5-yl]methylene}-2-thiopheneproprionic acid, 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid, [3H]eprosartan, [3H]-eprosartan, (E)-4-((2-butyl-5-(2-carboxy-3-(thiophen-2-yl)prop-1-enyl)-1H-imidazol-1-yl)methyl)benzoic acid, 2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-lH-imidazol-5-yl)methylene)-, (E)-, 4-({2-butyl-5-[(1E)-2-carboxy-2-(thiophen-2-ylmethyl)eth-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid, Eprosartan [USAN:BAN:INN], SKF-108566, NCGC00164557-01, Eprosartan (USAN/INN), Eprosartanum, Eprozar, Eprosartan [USAN:INN:BAN], SR-05000001450, HSDB 7521, AC1NQXXN, [3H]SK&F 108566, (4-carboxybenzyl)imidazole-5-acrylic acid, SCHEMBL4025, GTPL588, BIDD:GT0030, GTPL3940, DTXSID0022989, CHEBI:94094, OROAFUQRIXKEMV-LDADJPATSA-N, BCPP000239, HMS2089O10, BCP02353, BDBM50011977, STK618317, ZINC29319828, AKOS005552473, API0000548, BCP9000656, DB00876, NCGC00164557-06, 4-({2-butyl-5-[(1E)-2-carboxy-3-(thiophen-2-yl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid, AK105088, AN-32112, AX8127396, LS-172855, TL8000785, ST24035050, 40E014, C07467, D04040, 66929-EP2270011A1, 66929-EP2277879A1, 66929-EP2295406A1, 66929-EP2295430A2, 66929-EP2295431A2, 66929-EP2298772A1, 66929-EP2298779A1, 66929-EP2301923A1, 66929-EP2301931A1, 66929-EP2305219A1, 66929-EP2305670A1, 66929-EP2308839A1, AB01275448-01, AB01275448_02, L000248, I06-2216, J-006289, SR-05000001450-1, BRD-K67977190-066-01-5, 1-[4-Carboxybenzyl]-2-butyl-alpha-[(2-thienyl)methyl]-1H-imidazole-5-propenoic acid, 4-[[2-butyl-5-(2-carboxy-3-thiophen-2-yl-prop-1-enyl)imidazol-1-yl]methyl]benzoic acid, 4-[[2-butyl-5-[(E)-2-carboxy-3-(2-thienyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid, (E)-3-[2-Butyl-1-[(4-carboxyphenyl)methyl]imidazol-5-yl]-2-(2-thienylmethyl)-2-propenoic acid, (E)-alpha-[[2-Butyl-1-[(4-carboxyphenyl)-methyl]-1H-imidazol-5-yl]methylene]-2-thiophene Propanoic Acid, (E)-alpha-[[2-butyl-1-[(4carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-2-thiophene propanoic acid, 2-Thiophenepropanoic acid, alpha-[[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-, (alphaE)-, Eprosartan mesilate, Teveten (TN), EPROSARTAN MESYLATE, eprosartan methanesulfonate, D09TYW, D0T7US, C23H24N2O4S, C23-H24-N2-O4-S, ACN-045558, CB11812, CID5281037, CS-O-01474, 2485B, A11121, C068373, 144143-96-4, 4-[2-Butyl-5-(2-carboxy-3-thiophen-2-yl-propenyl)-imidazol-1-ylmethyl]-benzoic acid, (alpha E)-alpha-[[2-Butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazol-5-yl]methylene]-2-thiophenepropanoic acid, (E)-3-[2-butyl-1-[(4-carboxyphenyl)methyl]-imidazol-5-yl]-2-(2-thienylmethyl)-2-propenoic acid, 2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4- carboxyphenyl)methyl)-lH-imidazol-5-yl)methylene)-, (E)-,

Complexity	618
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	424.146g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	424.515g/mol
Monoisotopic Mass	424.146g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number