AG00327Q

103129-82-4 | (4S)-2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylic acid 3-ethyl 5-methyl ester

AG00327Q

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CAS Number	103129-82-4
Catalog Number	AG00327Q(AGN-PC-0OS68B)
Chemical Name	(4S)-2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylic acid 3-ethyl 5-methyl ester
IUPAC Name	3-O-ethyl 5-O-methyl (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI	InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1
InChI Key	HTIQEAQVCYTUBX-KRWDZBQOSA-N
MDL Number	MFCD09832686
Molecular Formula	C20H25ClN2O5
Molecular Weight	408.8759
SMILES	COC(=O)C=1[C@@H](C(=C(NC1C)COCCN)C(=O)OCC)C1=C(C=CC=C1)Cl
UNII	0P6NLP6806
Synonyms	2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-3-ethoxy-carbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine, levamlodipine, (S)-Amlodipine, Levamlodipine, 103129-82-4, S-Amlodipine, Levoamlodipine, UNII-0P6NLP6806, CHEBI:53796, 0P6NLP6806, (4S)-2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylic Acid 3-Ethyl 5-Methyl Ester, Levoamlodipine Besylate, Q-101935, (-)-(s)-Amlodipine, l-Amlodipine, 3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (4S)-, 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (4S)-, 3-Ethyl 5-methyl (4S)-2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, 3-ethyl 5-methyl (4S)-2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, Levamlodipine [INN], Lodien, (-)-Amlodipine, (R)-(-)-Amlodipine, SCHEMBL41283, CHEMBL2111097, KS-00000YQI, HTIQEAQVCYTUBX-KRWDZBQOSA-N, BCP22052, RW2568, AKOS015896087, ZINC100001964, AM90308, BCP9000849, DB09237, AJ-75018, AB1004814, LS-194044, FT-0662111, A14935, 129A824, I06-1740, UNII-1J444QC288 component HTIQEAQVCYTUBX-KRWDZBQOSA-N, (4S)-; l-Amlodipine; Levoamlodipine Besylate; (S)-Amlodipine, amlodipine, Levamlodipine Besylate, Levamlodipine malate, s-amlodipine gentisate, (s)-(-)-amlodipine, D0I2WV, Levamlodipine (hypertension), ACN-028604, CID9822750, Levamlodipine (hypertension), SK Chemicals, S-amlodipine (hypertension), SK Chemicals, 1626B, B1410, 88150-42-9, ~{O}3-ethyl ~{O}5-methyl (4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, 150566-71-5,

Complexity	647
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	408.145g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	408.879g/mol
Monoisotopic Mass	408.145g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	99.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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