AG0038AM

135062-02-1 | 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid

AG0038AM

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CAS Number	135062-02-1
Catalog Number	AG0038AM(AGN-PC-0PKHHI)
Chemical Name	2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid
IUPAC Name	2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid
InChI	InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1
InChI Key	FAEKWTJYAYMJKF-QHCPKHFHSA-N
MDL Number	MFCD00906179
Molecular Formula	C27H36N2O4
Molecular Weight	452.5857
NSC Number	759893
SMILES	C(C)OC1=C(C(=O)O)C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C1=C(C=CC=C1)N1CCCCC1
UNII	668Z8C33LU
Synonyms	2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid, 2-ethoxy-N-(alpha-(2-methyl-1-propyl)-2-piperidinobenzyl)-4-carbamoylmethylbenzoic acid, AG-EE 388, AG-EE 388 ZW, AG-EE 623 ZW, GlucoNorm, NovoNorm, Prandin, repa-glinide, repaglinide, repaglinide, (+-)-isomer, Repaglinide, 135062-02-1, Prandin, NovoNorm, GlucoNorm, AG-EE 623 ZW, Repaglinidum, Repaglinida, Repaglinidum [INN-Latin], Repaglinida [INN-Spanish], AG-EE 388 ZW, (S)-2-Ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid, AGEE-623ZW, UNII-668Z8C33LU, (S)-(+)-2-Ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoic acid, CHEMBL1272, AG-EE 623ZW, CHEBI:8805, 668Z8C33LU, C27H36N2O4, MFCD00906179, (S)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)phenyl)butylamino)-2-oxoethyl)benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid, 2-Ethoxy-4-[2-[[(1S)-3-Methyl-1-[2-(1-Piperidinyl)Phenyl]Butyl]Amino]-2-Oxoethyl]Benzoic Acid, NCGC00016978-01, CAS-135062-02-1, (+)-2-Ethoxy-alpha-(((S)-alpha-isobutyl-o-piperidinobenzyl)carbamoyl)-p-toluic acid, (S)-2-Ethoxy-4-(2-((methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)-benzoic acid, Q-201663, Repaglinide [USAN], Actulin, Surepost, (-)-Repaglinide, Reglin, 2-ethoxy-4-({[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]carbamoyl}methyl)benzoic acid, 2-ethoxy-4-(2-{[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino}-2-oxoethyl)benzoic acid, Benzoic acid, 2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)-, (S)-, SMR000466305, Prandin (TN), AG-EE 388, Repaglinide (JAN/USP/INN), AG-EE-623 ZW, AG-EE-388, (S)-Repaglinide, Repaglinide,(S), SMP-508, Surepost (TN), (S)-2-Ethoxy-4-[2-[[3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]amino]-2-oxoethyl]benzoic acid, AK-59609, Repaglinide [USAN:USP:INN:BAN], NN-623, 111GE012, AC1Q5TZW, Prestwick0_001046, Prestwick1_001046, Prestwick2_001046, Prestwick3_001046, DSSTox_CID_3552, Prandin;GlucoNorm;NovoNorm, 2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid, 2-ethoxy-N-(alpha-(2-methyl-1-propyl)-2-piperidinobenzyl)-4-carbamoylmethylbenzoic acid, DSSTox_RID_77078, DSSTox_GSID_23552, SCHEMBL16137, BSPBio_000972, (S)-2-ethoxy-4-(2-((3-methyl-1-(2-(1-piperidinyl)-phenyl)butyl)amino)-2-oxoethyl)-benzoic acid, MLS000759407, MLS001076684, MLS001424111, MLS006011560, BIDD:GT0338, SPBio_002906, AC1L24D5, BPBio1_001070, GTPL6841, DTXSID3023552, CTK3J7345, FAEKWTJYAYMJKF-QHCPKHFHSA-N, HMS1571A14, HMS2051N08, HMS2094C07, HMS2098A14, HMS2231M21, HMS3678D09, HMS3715A14, Pharmakon1600-01506035, BCP04250, KS-00000GU9, ZINC3798537, Tox21_110721, AC-726, ANW-63956, BDBM50153520, BG0514, NSC759893, s1426, STK629501, AKOS005561792, Repaglinide, >=98% (HPLC), solid, API0004049, BS-1010, CCG-101013, CS-0979, DB00912, MCULE-3611790330, NC00263, NSC-759893, RTC-063882, NCGC00016978-02, NCGC00016978-04, NCGC00016978-05, 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid, AJ-45642, AN-15576, BC220160, CC-34234, CPD000466305, HY-15209, I979, LS-38509, SAM001246546, SC-17344, SBI-0206942.P001, AB0013959, AB2000099, AX8145505, TC-063882, AB00514019, AM20090697, FT-0631150, R0179, ST24036034, SW197344-4, 62R021, C07670, D00594, W-5210, AB00514019-09, AB00514019_10, AB00514019_11, C-22512, SR-01000759404, SR-01000759404-4, BRD-K82846253-001-03-0, Z1777729210, Repaglinide, European Pharmacopoeia (EP) Reference Standard, Repaglinide, United States Pharmacopeia (USP) Reference Standard, (s)-(+)-2-ethoxy-4-(2-oxo-2-[(alpha-isobutyl-2-piperidinobenzyl)amino]ethyl)-benzoic acid, Repaglinide for system suitability, European Pharmacopoeia (EP) Reference Standard, (S)-2-Ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidyl)phenyl]butyl]amino]-2-oxo-ethyl]benzoic acid, 2-Ethoxy-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phenyl)-butylcarbamoyl]-methyl}-benzoic acid, Benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-, repa-glinide, enyglid, Novonorm/Prandin, GlucoNorm (TN), NovoNorm (TN), repaglinide, (+-)-isomer, (S)-(+)-Repaglinide, D0N5YA, Repaglinide, 98% - 1g 1g, Novo Nordisk brand of repaglinide, Glaxo Wellcome brand of replaginide, CID65981, Novo Nordisk brand 2 of repaglinide, C27-H36-N2-O4, ACN-034460, CS-O-02235, Prandin, GlucoNorm, NovoNorm, Repaglinide, A10783, C072379, (+)-2-ethoxy-alpha-[[(s)-alpha-isobutyl-o-piperidinobenzyl]carbamoyl]-p-toluic acid,

Complexity	619
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	452.268g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	452.595g/mol
Monoisotopic Mass	452.268g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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