Compound: nimodipine
SMILES: O=[N+]([O-])c1cc(ccc1)C2C(=C(NC(=C2C(=O)OCCOC)C)C)C(=O)OC(C)C
InChIKey: UIAGMCDKSXEBJQ-UHFFFAOYSA-N
Synonyms: nimodipine, 66085-59-4, Nimotop, Periplum, Admon, Nimodipino, Nymalize, Nimodipinum, BAY e 9736, Bay-e-9736, nemotan, Nimodipine ap, Isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, DTXSID5023370, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester, 57WA9QZ5WH, NSC-758476, CHEBI:7575, 3-(2-methoxyethyl) 5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, DTXCID003370, 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate, Nimodipin ISIS, 2,6-dimethyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-beta-methoxyethyl ester 5-isopropyl ester, Hexal, Nimodipin, Bayvit, Nimodipino, O5-(2-methoxyethyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, nimodipina, e 9736, Bay, RefChem:56660, C08CA06, 266-127-0, Nimodipinum [INN-Latin], Nimodipino [INN-Spanish], Bay-E 9736, 3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, MFCD00153848, C21H26N2O7, MLS000863294, s1747, 2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, NCGC00015714-09, SMR000058300, M02160, O5-isopropyl O3-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, NimoGel, DRG-0139, isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Nimotop(TM), SR-01000075335, NIMOTOP (TN), EINECS 266-127-0, UNII-57WA9QZ5WH, BRN 0459792, Nimodipin, NimoVent, Kenesil;, Nimotop;, Nimodipine CRS, Calnit;, Admon;, Nimodipine [USAN:USP:INN:BAN], Nymalize (TN), CAS-66085-59-4, Nimodipine (Nimotop), EG-1961, Nimodipine (Standard), Opera_ID_14, Spectrum_001880, NIMODIPINE [MI], SpecPlus_000716, Nimodipine (USP/INN), NIMODIPINE [INN], NIMODIPINE [JAN], Prestwick0_000918, Prestwick1_000918, Prestwick2_000918, Prestwick3_000918, Spectrum2_001562, Spectrum3_000766, Spectrum4_000791, Spectrum5_001687, NIMODIPINE [USAN], N-149, NIMODIPINE [VANDF], NIMODIPINE [MART.], NIMODIPINE [USP-RS], NIMODIPINE [WHO-DD], (+/-)-NIMODIPINE, CBiol_001832, Lopac0_000891, SCHEMBL34041, BSPBio_000796, BSPBio_001397, BSPBio_002412, KBioGR_000117, KBioGR_001262, KBioSS_000117, KBioSS_002408, MLS000069381, MLS001076550, MLS001424155, MLS002154061, MLS002172461, MLS003899190, DivK1c_006812, SPECTRUM1503600, SPBio_001464, SPBio_002985, BPBio1_000876, GTPL2523, orb1310704, orb3139926, CHEMBL3197349, NIMODIPINE [ORANGE BOOK], SCHEMBL22882841, SCHEMBL29382758, HY-B0265R, KBio1_001756, KBio2_000117, KBio2_002403, KBio2_002685, KBio2_004971, KBio2_005253, KBio2_007539, KBio3_000233, KBio3_000234, KBio3_001632, BRD8407, NIMODIPINE [EP MONOGRAPH], NIMODIPINE [USP IMPURITY], Bio1_000118, Bio1_000607, Bio1_001096, Bio2_000117, Bio2_000597, HMS1361F19, HMS1570H18, HMS1791F19, HMS1922E04, HMS1989F19, HMS2052M05, HMS2089H13, HMS2093G11, HMS2097H18, HMS2234B05, HMS3262D04, HMS3266O22, HMS3369G07, HMS3394M05, HMS3402F19, HMS3411I12, HMS3657I03, HMS3675I12, HMS3714H18, HMS5079J22, NIMODIPINE [USP MONOGRAPH], Pharmakon1600-01503600, 3,5-pyridinecarboxylic acid 2-methoxyethyl 1-methylethyl ester, ALBB-015317, BRD-8407, HY-B0265, MSK10220, Tox21_110202, Tox21_500891, BBL028286, BDBM50101971, CA-211, CCG-39340, EBC-11180, NSC758476, STK642934, AKOS005174934, AKOS015852459, Nimodipine - CAS 66085-59-4, Tox21_110202_1, AC-8484, CCG-101085, DB00393, II57946, KS-1304, LP00891, NC00335, NSC 758476, SDCCGSBI-0050866.P004, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-N,N-dimethyl-2,2-diphenyl-butanamide, IDI1_033867, NCGC00015714-04, NCGC00015714-05, NCGC00015714-06, NCGC00015714-07, NCGC00015714-08, NCGC00015714-10, NCGC00015714-11, NCGC00015714-12, NCGC00015714-13, NCGC00015714-16, NCGC00015714-28, NCGC00021456-02, NCGC00024675-02, NCGC00024675-03, NCGC00024675-04, NCGC00024675-05, NCGC00024675-06, NCGC00024675-07, NCGC00024675-08, NCGC00024675-09, NCGC00261576-01, 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-methoxyethyl 1-methylethyl ester, 1-methylethyl 2-(methyloxy)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Nimodipine 100 microg/mL in Acetonitrile, PD003072, PD033038, SMR002530605, ST082783, SY076731, SBI-0050866.P003, AB00513963, EU-0100891, N0896, NS00006836, SW219238-1, T0343, C07267, D00438, EN300-123527, F20554, SBI-0050866.0001, 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, AB00053314-03, AB00053314-04, AB00053314_05, AB00053314_06, Q421429, SR-01000075335-1, SR-01000075335-2, SR-01000075335-4, SR-01000075335-5, SR-01000075335-7, BRD-A58048407-001-06-3, BRD-A58048407-001-09-7, BRD-A58048407-001-17-0, BRD-A58048407-001-18-8, BRD-A58048407-001-20-4, Z53829207, Nimodipine, British Pharmacopoeia (BP) Reference Standard, Nimodipine, European Pharmacopoeia (EP) Reference Standard, Nimodipine, United States Pharmacopeia (USP) Reference Standard, Nimodipine, Pharmaceutical Secondary Standard; Certified Reference Material, Nimodipine for peak identification, EuropePharmacopoeia (EP) Reference Standard, (RS)-Iso-propyl-2-methoxyethyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, 2-Methoxyethyl 1-Methylethyl 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate, 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(2-METHOXYETHYL) 5-(1-METHYLETHYL) ESTER, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,?2-methoxyethyl 1-methylethyl ester, 3-Isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #, 3-isopropyl5-(2-methoxyethyl)2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, methylethyl 5-[(2-methoxyethyl)oxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4 -dihydropyridine-3-carboxylate
Theoretical properties:
molecular_formula: C21H26N2O7
molecular_weight: 418.4 g/mol
exact_mass: 418.17400117 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 9
heavy_atom_count: 30
topological_polar_surface_area: 120 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 1.20e-02 g/L
Descriptions:
pubchem: Nimodipine can cause developmental toxicity according to state or federal government labeling requirements.
chebi: A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a <em>m</em>-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.
chembl: NIMODIPINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Nimodipine, sold under the brand name Nimotop among others, is a calcium channel blocker used in preventing vasospasm secondary to subarachnoid hemorrhage (a form of cerebral hemorrhage). It was originally developed within the calcium channel blocker class as it was used for the treatment of high blood pressure, but is not used for this indication. 
It was patented in 1971 and approved for medical use in the United States in 1988. It was approved for medical use in Germany in 1985.