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Nicardipine

PubChem CID: 4474

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Compound Synonyms nicardipine, 55985-32-5, Nicardipino, Nicardipinum, Perpidine, Nicardipinum [INN-Latin], Nicardipino [INN-Spanish], Nicardipine (stn), (+/-)-Nicardipine, CHEBI:7550, EINECS 259-932-3, Cardene, Nicardipine (INN), BRN 0504321, DTXSID6023363, UNII-CZ5312222S, YC-93 (free base), Cardene (TN), CZ5312222S, DTXCID903363, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(benzylmethylamino)ethyl methyl ester, 3-(2-(benzyl(methyl)amino)ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2-(Benzylmethylamino)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-(methyl(phenylmethyl)amino)ethyl ester, NCGC00015747-03, NICARDIPINE [INN], Nicardipinum (INN-Latin), Nicardipino (INN-Spanish), Nicardipine [INN:BAN], 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-[methyl(phenylmethyl)amino]ethyl ester, Methyl 2-(benzyl-methyl-amino)ethyl2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-METHYL 5-(2-(METHYL(PHENYLMETHYL)AMINO)ETHYL) ESTER, 3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, CAS-55985-32-5, nicardipina, nicardipineum, rac-nicardipine, racemic nicardipine, (RS)-nicardipine, (+-)-nicardipine, (R,S)-nicardipine, YC-93 free base, Spectrum_001372, NICARDIPINE [MI], Prestwick0_000383, Prestwick1_000383, Prestwick2_000383, Prestwick3_000383, Spectrum2_001415, Spectrum3_001452, Spectrum4_000422, Spectrum5_001320, NICARDIPINE [VANDF], CHEMBL1484, CBiol_001802, Lopac0_000809, Oprea1_436998, SCHEMBL34277, BSPBio_000565, BSPBio_001389, BSPBio_002943, KBioGR_000109, KBioGR_000744, KBioSS_000109, KBioSS_001852, NICARDIPINE [WHO-DD], BIDD:GT0621, DivK1c_000540, SPBio_001490, SPBio_002486, BPBio1_000623, GTPL2559, CHEMBL3302409, KBio1_000540, KBio2_000109, KBio2_001852, KBio2_002677, KBio2_004420, KBio2_005245, KBio2_006988, KBio3_000217, KBio3_000218, KBio3_002443, C08CA04, CHEBI:180905, NINDS_000540, Bio1_000088, Bio1_000577, Bio1_001066, Bio2_000109, Bio2_000589, HMS1791F11, HMS1989F11, HMS2089C09, HMS3886G17, BCP21397, EX-A4680, Tox21_110211, BDBM50101815, s5255, AKOS001637090, AKOS040744847, Tox21_110211_1, CCG-204893, CS-3685, DB00622, FN65103, SDCCGSBI-0050786.P004, IDI1_000540, IDI1_033859, NCGC00015747-02, NCGC00015747-04, NCGC00015747-05, NCGC00015747-06, NCGC00015747-07, NCGC00015747-09, NCGC00015747-11, NCGC00015747-18, NCGC00162262-01, NCGC00162262-02, NCGC00162262-03, NCGC00162262-04, 1ST10213, AC-19947, AC-36578, AS-56335, HY-12515, methyl 2-[methyl(phenylmethyl)amino]ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, PD033077, PD156023, SBI-0050786.P003, DB-052833, AB00514658, NS00002168, A12641, C07264, D08270, EN300-708781, AB00053604-03, AB00053604_04, AB00053604_05, L000715, Q729213, BRD-A26711594-001-02-7, BRD-A26711594-003-05-6, BRD-A26711594-003-06-4, BRD-A26711594-003-08-0, BRD-A26711594-003-10-6, 106664-28-2, 2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-[ 2-(N-benzyl-N-methylamino)ethoxycarbonyl]-1,4-dihydropyridine, 2-(benzyl(methyl)amino)ethyl methyl (4RS)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2-(Benzylmethylamino) ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, 2-(BENZYLMETHYLAMINO)ETHYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(M-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLATE, 2-(Benzylmethylamino)ethyl methyl 1.4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, 2-(N-benzyl-N-methylamino)ethyl methyl 2,6-dimethyl-4(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 259-932-3, 3,5_Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 2-(methyl(phenylmethyl)amino)ethyl ester, 3-(2-[Benzyl(methyl)amino]ethyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #, 5-O-[2-[Benzyl(methyl)amino]ethyl] 3-O-methyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, O5-methyl O3-[2-(methyl-(phenylmethyl)amino)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Topological Polar Surface Area 114.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 35.0
Isotope Atom Count 0.0
Molecular Complexity 856.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P00811, P00766, P40925, P05364, P00346, P11712, P27732, P25099, P30543, P0DMS8, P28647, O54698, P22909, P43140, P18089, P08684, P08183, P21447, P06795, Q9UNQ0, P15917, Q92887, Q8BLA8, P05453, P02545, P51151, Q16637, P42345, Q9NUW8, P10636, P97697, O15118, n.a., P04062, Q96QE3, Q16236, P21728, Q92830, Q99549, Q96KQ7, P83916, Q13526, P11473, Q99700, P39748, Q9UBT6, O94782, P25094, O75496, O94956, Q9NPD5, Q9Y6L6, Q8R0V5, Q13936, P33261, P10635, P05177, P51589, P10632, P02768, O95342, O15438, O15439, P0A0J7, P10275, Q03181, P04792
Iupac Name 5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Prediction Hob 0.0
Target Id NPT2683, NPT212, NPT218, NPT109, NPT668, NPT1422, NPT483, NPT537, NPT93, NPT940, NPT50, NPT51, NPT538, NPT2691, NPT213, NPT110, NPT628, NPT208, NPT1463, NPT713, NPT1028
Xlogp 3.8
Molecular Formula C26H29N3O6
Prediction Swissadme 0.0
Inchi Key ZBBHBTPTTSWHBA-UHFFFAOYSA-N
Fcsp3 0.3076923076923077
Logs -4.571
Rotatable Bond Count 10.0
Logd 3.821
Compound Name Nicardipine
Prediction Hob Swissadme 0.0
Exact Mass 479.206
Formal Charge 0.0
Monoisotopic Mass 479.206
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 479.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -4.747418885714287
Inchi InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
Smiles CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all
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