AG0011AF

132866-11-6 | 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester, hydrochloride (1:1)

AG0011AF

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CAS Number	132866-11-6
Catalog Number	AG0011AF(AGN-PC-0PJUHE)
Chemical Name	3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester, hydrochloride (1:1)
EC Number	603-682-3
IUPAC Name	5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
InChI	InChI=1S/C36H41N3O6.ClH/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27;/h7-19,22,30,33,37H,20-21,23H2,1-6H3;1H
InChI Key	WMFYOYKPJLRMJI-UHFFFAOYSA-N
MDL Number	MFCD09265254
Molecular Formula	C36H42ClN3O6
Molecular Weight	648.1882
SMILES	O=C(C1=C(C)NC(C)=C(C(OC)=O)C1C2=CC=CC([N+]([O-])=O)=C2)OC(C)(C)CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)C.[H]Cl
Synonyms	Lercadip, lercanidipine, lercanidipine hydrochloride, Lerdip, methyl-1,1-dimethyl-2-(N-(3,3-diphenylpropyl)-N-methylamino)ethyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, REC 15-2375, REC-15-2375, Zanidip, Lercanidipine hydrochloride, 132866-11-6, Lercanidipine HCl, Cardiovasc, Corifeo, Carmen, Lerzam, Lercadip, Lercapin, Lercaton, Lerkamen, Renovia, Vasodip, Zanicor, Lercan, Zandip, Lercanidipine (hydrochloride), Rec-15/2375, Lercanidipine hydrochloride hemihydrate, Zanidip (hydrochloride), 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl methyl ester hydrochloride, Masnidipine (hydrochloride), R 75, 3-(1-((3,3-diphenylpropyl)(methyl)amino)-2-methylpropan-2-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride, DSSTox_CID_26665, DSSTox_RID_81807, DSSTox_GSID_46665, 5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride, CAS-132866-11-6, NCGC00167492-01, Zanedip, Zanidip, Lerdip, Cardiovasc (TN), LCP-Lerc, Lercanidipine hydrochloride [USAN], Zanidip hydrochloride, Masnidipine hydrochloride, G00009-Watson-Int, lercanidipine-hydrochloride, AC1L4IX8, C36H42ClN3O6, SCHEMBL217099, CHEMBL2106419, DTXSID3046665, CHEBI:31771, HY-B0612A, TJN-324, WMFYOYKPJLRMJI-UHFFFAOYSA-N, Lercanidipine hydrochloride (1:x), Rec 15/2375, BCP11375, EBD51404, KS-000002DP, Tox21_112493, Tox21_500144, MFCD07773089, s4597, lercanidipinehydrochloride(forr&donly), AKOS015846519, Tox21_112493_1, AC-1420, CCG-221448, CS-2831, LP00144, MCULE-2712241399, RL01508, Lercanidipine hydrochloride (JAN/USAN), lercanidipine hemihydrate hydrochloride, NCGC00167492-03, NCGC00260829-01, AK550821, AN-14919, AS-13358, BC214749, H990, FT-0627794, FT-0631144, L0282, Lercanidipine hydrochloride, >=98% (HPLC), D01849, 866L116, A806509, I06-0366, J-006235, J-006236, J-521641, 100427-27-8, 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] ester O3-methyl ester hydrochloride, 2-((3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl (4RS)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate monohydrochloride, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-((3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl ester, monohydrochloride, 3,5-Pyridinedicarboxylic acid, 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl ester, monohydrochloride, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester, hydrochloride (1:1), 3-(1-((3,3-Diphenylpropyl);(methyl);amino);-2-methylpropan-2-yl); 5-methyl 2,6-dimethyl-4-(3-nitrophenyl);-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride, 5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride, O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methyl-propan-2-yl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride, O5-[2-[3,3-diphenylpropyl(methyl)amino]-1,1-dimethyl-ethyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride, UNII-OA8TFX68PE, Lercanidipinehydrochloride, OA8TFX68PE, C36H41N3O6.ClH, (R)-Lercanidipine Hydrochloride, (S)-Lercanidipine Hydrochloride, C36-H41-N3-O6.Cl-H, CID157917, 184866-29-3, 187731-34-6,

Complexity	1090
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	647.276g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	648.197g/mol
Monoisotopic Mass	647.276g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number