Nisoldipine

CAS Number: 63675-72-9

Molecular Mass: 388.4 g/mol

Formula: C₂₀H₂₄N₂O₆

Smiles: COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]

Synonymes:

Nisoldipine, nisoldipine, 63675-72-9, Sular, Nisocor, Baymycard, Nisoldipin, Bay k 5552, Nisoldipino, Nisoldipinum, Bay-k-5552, Geomatrix 16e, Nisoldipine (stn), DTXSID0023371, 4I8HAB65SZ, NSC-759106, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester, DTXCID403371, 3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester, (+-)-, O5-methyl O3-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Nisoldipina, Nisoldipine SR, Syscor mr 10, Syscor mr 20, Syscor mr 30, RefChem:56577, CHEBI:7577, C08CA07, 264-407-7, Zadipina, Syscor, 3-Isobutyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Nisoldipinum [INN-Latin], Nisoldipino [INN-Spanish], BAY-k 5552, MFCD00478055, 3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, CHEMBL441428, CHEBI:76917, 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-, 3-METHYL 5-(2-METHYLPROPYL) ESTER, NCGC00164633-01, O5-isobutyl O3-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl 2-methylpropyl ester, SMR000466370, CAS-63675-72-9, Sular (TN), SR-05000002009, EINECS 264-407-7, UNII-4I8HAB65SZ, BRN 0454188, Nisoldipine (JAN/USAN/INN), Nisocor, , Nisoldipine [USAN:INN:BAN:JAN], (+-)-Isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate, Isobutyl 1,4-dihydro-5-methoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridincarboxylat, Nisoldipine, ~97%, NISOLDIPINE [MI], NISOLDIPINE [INN], NISOLDIPINE [JAN], (.+/-.)-Nisoldipine, NISOLDIPINE [USAN], NISOLDIPINE [VANDF], Baymycard, Norvasc, Syscor, CHEMBL1726, NISOLDIPINE [MART.], SCHEMBL39779, (+/-)-NISOLDIPINE, NISOLDIPINE [USP-RS], NISOLDIPINE [WHO-DD], MLS000759498, MLS001424102, MLS002153943, BIDD:GT0684, GTPL2524, orb1310881, CHEMBL3192341, Nisoldipine - Bio-X trade mark, SCHEMBL29420725, Nisoldipine, >=98% (HPLC), NISOLDIPINE [ORANGE BOOK], BDBM642532, HMS2051O18, HMS2089K20, HMS2093F15, HMS2097E13, HMS2231L20, HMS3393O18, HMS3651K17, HMS3714E13, HMS3744O19, HMS3884I08, HMS5079L22, Pharmakon1600-01505390, KBC91003, MSK10226, Tox21_112251, Tox21_302365, AC-987, BBL028683, BDBM50101963, BDBM50227259, DL-255, EBC-13348, NSC759106, s1748, STK631543, AKOS005563632, AKOS037515714, Tox21_112251_1, CCG-100894, CCG-213412, CS-1131, DB00401, FN26228, KS-5188, NC00144, Nisoldipine 100 microg/mL in Methanol, NSC 759106, US20230414632, Compound I-e, Isobutyl Methyl 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate, NCGC00164633-02, NCGC00164633-03, NCGC00255136-01, 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic Acid Isobutyl Methyl Ester, BN164147, HY-17402, PD003071, PD033037, (+/-)-BAY-K-5552, SBI-0206830.P001, N0900, NS00002600, SW219237-1, T0163, A10663, C07699, D00618, EN300-119517, SBI-0206830.0001, AB01275444-01, AB01275444_02, F794980, Q3342150, SR-05000002009-1, SR-05000002009-2, SR-05000002009-3, BRD-A84465106-001-01-2, BRD-A84465106-001-03-8, BRD-A84465106-001-05-3, BRD-A84465106-001-06-1, BRD-A84465106-001-08-7, Z277942268, 3-Isobutyl 5-methyl 2 ,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3-Isobutyl5-methyl2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, isobutyl methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, (+/-)-Isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate, (.+/-.)-Isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate, 1,4-dihydro-2 ,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl 2-methylpropyl ester, 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-, METHYL 2-METHYLPROPYL ESTER, (+/-)-, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester, (.+/-.)-, 3-Isobutyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #, 3-Isobutyl 5-methyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (Synonyms:Nisoldipine), METHYL 2-METHYLPROPYL-1,4-DIHYDRO-2,6-DIMETHYL-4-(2-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLATE, DL-

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	278.15	-	24.78	[387]
1-Butanol	283.15	-	28.94	[387]
1-Butanol	288.15	-	34.16	[387]
1-Butanol	293.15	-	40.15	[387]
1-Butanol	298.15	-	47.18	[387]
1-Butanol	303.15	-	55.01	[387]
1-Butanol	308.15	-	63.18	[387]
1-Butanol	313.15	-	73.41	[387]
1-Butanol	318.15	-	85.32	[387]
1-Propanol	278.15	-	19.45	[388]
1-Propanol	278.15	-	20.0	[387]
1-Propanol	283.15	-	23.63	[388]
1-Propanol	283.15	-	23.99	[387]
1-Propanol	288.15	-	28.99	[388]
1-Propanol	288.15	-	28.62	[387]
1-Propanol	293.15	-	35.21	[388]
1-Propanol	293.15	-	34.33	[387]
1-Propanol	298.15	-	42.26	[388]
1-Propanol	298.15	-	40.65	[387]
1-Propanol	303.15	-	50.35	[388]
1-Propanol	303.15	-	48.88	[387]
1-Propanol	308.15	-	59.62	[388]
1-Propanol	308.15	-	57.52	[387]
1-Propanol	313.15	-	70.17	[388]
1-Propanol	313.15	-	67.19	[387]
1-Propanol	318.15	-	83.2	[388]
1-Propanol	318.15	-	79.86	[387]
Acetonitrile	278.15	-	62.91	[388]
Acetonitrile	278.15	-	64.69	[387]
Acetonitrile	283.15	-	75.65	[388]
Acetonitrile	283.15	-	77.19	[387]
Acetonitrile	288.15	-	90.99	[388]
Acetonitrile	288.15	-	90.38	[387]
Acetonitrile	293.15	-	109.0	[388]
Acetonitrile	293.15	-	108.1	[387]
Acetonitrile	298.15	-	129.0	[388]
Acetonitrile	298.15	-	126.1	[387]
Acetonitrile	303.15	-	152.1	[388]
Acetonitrile	303.15	-	146.6	[387]
Acetonitrile	308.15	-	178.9	[388]
Acetonitrile	308.15	-	172.2	[387]
Acetonitrile	313.15	-	207.8	[388]
Acetonitrile	313.15	-	200.3	[387]
Acetonitrile	318.15	-	242.8	[388]
Acetonitrile	318.15	-	233.7	[387]
Cyclohexane	283.15	-	0.207	[387]
Cyclohexane	288.15	-	0.264	[387]
Cyclohexane	293.15	-	0.327	[387]
Cyclohexane	298.15	-	0.3965	[387]
Cyclohexane	303.15	-	0.4864	[387]
Cyclohexane	308.15	-	0.5787	[387]
Cyclohexane	313.15	-	0.6943	[387]
Cyclohexane	318.15	-	0.8258	[387]
Ethanol	278.15	-	18.87	[387]
Ethanol	283.15	-	23.48	[387]
Ethanol	288.15	-	28.85	[387]
Ethanol	293.15	-	35.41	[387]
Ethanol	298.15	-	43.21	[387]
Ethanol	303.15	-	52.38	[387]
Ethanol	308.15	-	61.78	[387]
Ethanol	313.15	-	73.81	[387]
Ethanol	318.15	-	87.7	[387]
Ethyl acetate	278.15	-	65.92	[388]
Ethyl acetate	278.15	-	68.35	[387]
Ethyl acetate	283.15	-	75.89	[388]
Ethyl acetate	283.15	-	77.19	[387]
Ethyl acetate	288.15	-	87.3	[388]
Ethyl acetate	288.15	-	87.93	[387]
Ethyl acetate	293.15	-	100.9	[388]
Ethyl acetate	293.15	-	99.95	[387]
Ethyl acetate	298.15	-	116.3	[388]
Ethyl acetate	298.15	-	112.8	[387]
Ethyl acetate	303.15	-	131.2	[388]
Ethyl acetate	303.15	-	127.6	[387]
Ethyl acetate	308.15	-	149.3	[388]
Ethyl acetate	308.15	-	144.4	[387]
Ethyl acetate	313.15	-	168.8	[388]
Ethyl acetate	313.15	-	161.2	[387]
Ethyl acetate	318.15	-	191.8	[388]
Ethyl acetate	318.15	-	183.5	[387]
Isopropanol	278.15	-	25.07	[388]
Isopropanol	278.15	-	24.22	[387]
Isopropanol	283.15	-	29.84	[388]
Isopropanol	283.15	-	29.05	[387]
Isopropanol	288.15	-	35.35	[388]
Isopropanol	288.15	-	34.37	[387]
Isopropanol	293.15	-	41.47	[388]
Isopropanol	293.15	-	40.74	[387]
Isopropanol	298.15	-	48.72	[388]
Isopropanol	298.15	-	47.64	[387]
Isopropanol	303.15	-	56.47	[388]
Isopropanol	303.15	-	55.9	[387]
Isopropanol	308.15	-	65.01	[388]
Isopropanol	308.15	-	65.52	[387]
Isopropanol	313.15	-	75.45	[388]
Isopropanol	313.15	-	76.58	[387]
Isopropanol	318.15	-	86.39	[388]
Isopropanol	318.15	-	89.56	[387]
Toluene	278.15	-	5.713	[387]
Toluene	283.15	-	6.756	[387]
Toluene	288.15	-	8.023	[387]
Toluene	293.15	-	9.515	[387]
Toluene	298.15	-	11.27	[387]
Toluene	303.15	-	13.28	[387]
Toluene	308.15	-	15.46	[387]
Toluene	313.15	-	17.97	[387]
Toluene	318.15	-	21.05	[387]
Water	278.15	-	0.0816	[388]
Water	278.15	-	0.086	[387]
Water	283.15	-	0.1087	[388]
Water	283.15	-	0.11	[387]
Water	288.15	-	0.1455	[388]
Water	288.15	-	0.15	[387]
Water	293.15	-	0.1867	[388]
Water	293.15	-	0.19	[387]
Water	298.15	-	0.2519	[388]
Water	298.15	-	0.258	[387]
Water	303.15	-	0.3248	[388]
Water	303.15	-	0.322	[387]
Water	308.15	-	0.416	[388]
Water	308.15	-	0.407	[387]
Water	313.15	-	0.5292	[388]
Water	313.15	-	0.513	[387]
Water	318.15	-	0.6597	[388]
Water	318.15	-	0.64	[387]

Molecule 3D descriptors

Descriptor	Value
PMI1	2117.9075
PMI2	3265.3388
PMI3	4026.8048
NPR1	0.5260
NPR2	0.8109
RadiusOfGyration	3.4804
InertialShapeFactor	0.0004
Eccentricity	0.8505
Asphericity	0.1251
SpherocityIndex	0.4473
PBF	1.2353