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Nimodipine

PubChem CID: 4497

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Compound Synonyms nimodipine, 66085-59-4, Nimotop, Periplum, Nimodipino, Admon, Nimodipinum, Nymalize, BAY e 9736, Bay-e-9736, nemotan, Nimodipinum [INN-Latin], Nimodipino [INN-Spanish], Bay-E 9736, Nimodipine ap, Isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, DRG-0139, CHEBI:7575, 3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, UNII-57WA9QZ5WH, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester, EINECS 266-127-0, 57WA9QZ5WH, MFCD00153848, NSC-758476, BRN 0459792, DTXSID5023370, (+/-)-NIMODIPINE, MLS000863294, DTXCID003370, 3-(2-methoxyethyl) 5-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Nimodipine [USAN:USP:INN:BAN], 2-methoxyethyl 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, NSC 758476, NCGC00015714-09, SMR000058300, Nimodipinum (INN-Latin), Nimodipino (INN-Spanish), NIMODIPINE (MART.), NIMODIPINE [MART.], NIMODIPINE (USP-RS), NIMODIPINE [USP-RS], 2,6-dimethyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-beta-methoxyethyl ester 5-isopropyl ester, NIMODIPINE (EP MONOGRAPH), NIMODIPINE (USP IMPURITY), NIMODIPINE [EP MONOGRAPH], NIMODIPINE [USP IMPURITY], NIMODIPINE (USP MONOGRAPH), NIMODIPINE [USP MONOGRAPH], Nimodipine (USAN:USP:INN:BAN), NimoGel, Nimotop(TM), 1-methylethyl 2-(methyloxy)ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 3-(2-METHOXYETHYL) 5-(1-METHYLETHYL) ESTER, SR-01000075335, NIMOTOP (TN), nimodipina, NimoVent, Nimodipime,(S), Nymalize (TN), CAS-66085-59-4, NIMO, Nimodipine (Nimotop), 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 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 [WHO-DD], 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, CHEMBL3197349, NIMODIPINE [ORANGE BOOK], SCHEMBL22882841, HY-B0265R, KBio1_001756, KBio2_000117, KBio2_002403, KBio2_002685, KBio2_004971, KBio2_005253, KBio2_007539, KBio3_000233, KBio3_000234, KBio3_001632, 3-isopropyl 5-(2-methoxyethyl), BRD8407, C08CA06, 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, Pharmakon1600-01503600, 3,5-pyridinecarboxylic acid 2-methoxyethyl 1-methylethyl ester, ALBB-015317, BCP21152, BRD-8407, HY-B0265, MSK10220, 2,6-dimethyl-4-(3-nitrophenyl)-, Tox21_110202, Tox21_500891, BBL028286, BDBM50101971, CA-211, CCG-39340, NSC758476, s1747, STK642934, AKOS005174934, AKOS015852459, Nimodipine - CAS 66085-59-4, Tox21_110202_1, 1,4-dihydropyridine-3,5-dicarboxylate, AC-8484, CCG-101085, DB00393, II57946, KS-1304, LP00891, NC00335, SDCCGSBI-0050866.P004, IDI1_033867, isopropyl 2-methoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 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, 1ST10220, Nimodipine 100 microg/mL in Acetonitrile, O5-isopropyl O3-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, PD003072, PD033038, SMR002530605, SY076731, SBI-0050866.P003, AB00513963, EU-0100891, N0896, NS00006836, SW219238-1, 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, BAY E 9736 pound>> BAY-E-9736 pound>> BAYE97, 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, 266-127-0, 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, O5-(2-methoxyethyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Topological Polar Surface Area 120.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 30.0
Isotope Atom Count 0.0
Molecular Complexity 736.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Prediction Hob 0.0
Target Id NPT218, NPT540, NPT543, NPT2691, NPT208, NPT213, NPT212, NPT110, NPT109, NPT1463, NPT713
Xlogp 3.1
Molecular Formula C21H26N2O7
Prediction Swissadme 0.0
Inchi Key UIAGMCDKSXEBJQ-UHFFFAOYSA-N
Fcsp3 0.4285714285714285
Logs -4.39
Rotatable Bond Count 9.0
Logd 3.249
Compound Name Nimodipine
Prediction Hob Swissadme 0.0
Exact Mass 418.174
Formal Charge 0.0
Monoisotopic Mass 418.174
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 418.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -3.843865200000002
Inchi InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3
Smiles CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients
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