Nifedipine
PubChem CID: 4485
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| Compound Synonyms | nifedipine, 21829-25-4, Adalat, Procardia, Procardia XL, Adalat CC, Fenihidine, Citilat, Cordipin, Corinfar, Oxcord, Coracten, Fenihidin, dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Afeditab CR, Bay-a-1040, Nifediac, Nifedipino, Nifedipinum, Adalate, Adapine, Nifedical, Afeditab, Cordafen, Cordaflex, Corynphar, Hexadilat, Introcar, Kordafen, Nifecard, Nifedipres, Tibricol, Anifed, Glopir, Nifecor, Nifedin, Nifelat, Pidilat, Sepamit, Zenusin, Orix, Adipine XL, 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester, Adalat LA, BAY A 1040, Nifedical XL, MFCD00057326, Nifedipine slow release, CCRIS 6074, CHEBI:7565, Nifedipinum [INN-Latin], Nifedipino [INN-Spanish], I9ZF7L6G2L, NSC-757242, 3,5-dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, DTXSID2025715, EINECS 244-598-3, CHEMBL193, UNII-I9ZF7L6G2L, BRN 0497773, Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2'-nitrophenyl)-3,5-pyridinedicarboxylate, Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate, MLS000028521, DTXCID205715, BAY-a 1040, HSDB 7775, 4-(2'-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine, Dimethyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate, NSC 757242, NCGC00015748-11, Chronadalate, Dignokonstant, Niphedipine, Adapress, Aldipin, Alfadal, Angipec, Aprical, Bonacid, Calcibloc, Calcigard, Calcilat, Cardifen, Cardilat, Cardionorm, Cordalat, Cordicant, Cordilan, Corotrend, Dilafed, Dipinkor, Duranifin, Ecodipi, Ecodipin, Fenamon, Hadipin, Macorel, Megalat, Myogard, Nifedicor, Nifelan, Nificard, SMR000058291, Alonix, Anpine, Camont, Fedcor, Depin, Alat, Adalat Retard, CAS-21829-25-4, Fedcor Retard, Adalat Crono, Chronadalate LP, Nifedipinum (INN-Latin), Adalat Oros, Ecodipin E, Apo-Nifed, Nifedipino (INN-Spanish), Nifensar XL, Alonix S, Fenamon SR, Adalat CR, Adalat FT, Adalat LP, Adalat PA, NIFEDIPINE (MART.), NIFEDIPINE [MART.], Adalat GITS, 4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester, NIFEDIPINE (USP-RS), NIFEDIPINE [USP-RS], Adalat 5, 5-22-04-00268 (Beilstein Handbook Reference), Adalat 10, Adalat 20, Adalat GITS 30, NIFEDIPINE (EP MONOGRAPH), NIFEDIPINE (USP IMPURITY), NIFEDIPINE [EP MONOGRAPH], NIFEDIPINE [USP IMPURITY], Alpha-Nifedipine Retard, Emaberin, NIFEDIPINE (USP MONOGRAPH), NIFEDIPINE [USP MONOGRAPH], Dilcor, Aprical long, Slofedipine XL, Fortipine LA, Tensipine MR, 2,6-Dimethyl-3,5-dicarbomethoxy-4-(2-nitrophenyl)-1,4-dihydropyridine, 4-(2-Nitrophenyl)-2,6-dimethyl-3,5-dicarbomethoxy-1,4-dihydropyridine, Adalate LP, Adalat XL, Nifedipine (USAN:USP:INN:BAN:JAN), Nifedipine [USAN:USP:INN:BAN:JAN], Dimethyl 4-(2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, Procardia (TN), 193689-82-6, Adalat (TN), Afeditab CR (TN), SR-01000075332, nifedipina, BAYa1040, Aldipine, NifedicalXL, NifedipineER, ProcardiaXL, AfeditabCR, NifedicalXLXL, Nifediac Cc, Nifedipine,(S), BAY 1040, KB-1712P, Prestwick_357, Nifedipine (Adalat), Nifedipine (Standard), Spectrum_000979, Tocris-1075, NIFEDIPINE [MI], NIFEDIPINE [INN], NIFEDIPINE [JAN], Opera_ID_1816, Prestwick0_000063, Prestwick1_000063, Prestwick2_000063, Prestwick3_000063, Spectrum2_001058, Spectrum3_000516, Spectrum4_000074, Spectrum5_001278, Lopac-N-7634, NIFEDIPINE [HSDB], NIFEDIPINE [USAN], NifedipineExtended Release, NIFEDIPINE [VANDF], Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate, N 7634, cid_4485, SCHEMBL3968, NIFEDIPINE [WHO-DD], NIFEDIPINE [WHO-IP], BIDD:PXR0034, CBiol_001826, Lopac0_000819, Oprea1_788617, BSPBio_000245, BSPBio_001391, BSPBio_002071, KBioGR_000111, KBioGR_000627, KBioGR_002400, KBioSS_000111, KBioSS_001459, KBioSS_002405, MLS000758222, MLS001148146, MLS001401371, BIDD:GT0442, DivK1c_000313, SPECTRUM1500431, SPBio_001016, SPBio_002166, BPBio1_000271, GTPL2514, Nifedipine (JP17/USP/INN), Nifedipine - Bio-X trade mark, NIFEDIPINE [ORANGE BOOK], BCBcMAP01_000046, HMS500P15, HY-B0284R, KBio1_000313, KBio2_000111, KBio2_001459, KBio2_002400, KBio2_002679, KBio2_004027, KBio2_004968, KBio2_005247, KBio2_006595, KBio2_007536, KBio3_000221, KBio3_000222, KBio3_001571, KBio3_002879, C08CA05, TN 873R, cMAP_000042, NINDS_000313, Bio1_000112, Bio1_000601, Bio1_001090, Bio2_000111, Bio2_000591, HMS1361F13, HMS1568M07, HMS1791F13, HMS1920P19, HMS1989F13, HMS2051O03, HMS2089H11, HMS2091H20, HMS2095M07, HMS2233B22, HMS3262D19, HMS3267G06, HMS3393O03, HMS3412E17, HMS3651M19, HMS3676E17, HMS3712M07, HMS3748O21, Pharmakon1600-01500431, NIFEDIPINUM [WHO-IP LATIN], BCP21147, HY-B0284, L-Type Calcium Channel Blocker III, Tox21_110212, Tox21_200304, Tox21_500819, BBL023163, BDBM50000778, BDBM50101817, CCG-40115, HB1228, NSC757242, NSC786036, s1808, STK735567, AKOS002942507, AKOS037515769, Nifedipine - CAS 21829-25-4, Nifedipine, >=98% (HPLC), powder, Tox21_110212_1, AC-8061, CCG-100758, DB01115, FN26213, KS-1456, LP00819, NC00008, NSC-786036, SDCCGSBI-0050796.P005, 4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsaeuredimethylester [German], IDI1_000313, IDI1_033861, Bay-1040, Bay 1040, Bay1040, NCGC00015748-01, NCGC00015748-02, NCGC00015748-03, NCGC00015748-04, NCGC00015748-05, NCGC00015748-06, NCGC00015748-07, NCGC00015748-08, NCGC00015748-09, NCGC00015748-10, NCGC00015748-12, NCGC00015748-13, NCGC00015748-14, NCGC00015748-15, NCGC00015748-17, NCGC00015748-18, NCGC00015748-33, NCGC00021710-02, NCGC00024983-01, NCGC00024983-02, NCGC00024983-03, NCGC00024983-04, NCGC00024983-05, NCGC00024983-06, NCGC00024983-07, NCGC00024983-08, NCGC00091707-01, NCGC00091707-02, NCGC00091707-03, NCGC00257858-01, NCGC00261504-01, BN166183, CPD000058291, PD003075, PD033039, SY074220, SBI-0050796.P004, EU-0100819, N0528, NS00002967, SW219724-1, BIM-0050796.0001, C07266, D00437, EN300-120627, Q39111, SBI-0050796.0002, AB00052051-05, AB00052051_06, AB00052051_07, L001054, SR-01000075332-1, SR-01000075332-3, SR-01000075332-4, SR-01000075332-6, BRD-K96354014-001-01-3, BRD-K96354014-001-10-4, BRD-K96354014-001-14-6, BRD-K96354014-001-15-3, BRD-K96354014-001-17-9, BRD-K96354014-001-21-1, BRD-K96354014-001-27-8, Z90350374, F2173-0802, Nifedipine, British Pharmacopoeia (BP) Reference Standard, Nifedipine, European Pharmacopoeia (EP) Reference Standard, Nifedipine, United States Pharmacopeia (USP) Reference Standard, 4-(2'-nitrophenyl)-2,6 dimethyl-3,5-dicarbmethoxy-1,4-dihydropyridine, 4-(2'-nitrophenyl)-2,6-dimethyl-3,5-dicarbmethoxy-1,4-dihydropyridine, Nifedipine, Pharmaceutical Secondary Standard, Certified Reference Material, 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylicaciddimethylester, 2,6-dimethyl-4-(2nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3,5-dimethyl ester, 4-(2'-Nitrophenyl)-2,6-dimethyl-1,4-dihydropyridin-3,5-dicarbonsauredimethylester, Dimethyl (4-(2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate), Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #, dimethyl 4-(o-nitrophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, dimethyl2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester, Adalate, Aldipin, 101539-70-2, 2,6-DIMETHYL-4-(2-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID DIMETHYL ESTER, 244-598-3, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester (9CI), 3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(O-NITROPHENYL)-, DIMETHYL ESTER, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-, dimethyl ester (8CI), 915092-63-6 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 608.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08684, Q13936, P15381, P22002, Q9NY46, P27732, P08912, P43140, P29274, O60840, P25099, P0DMS8, P49430, P30543, n.a., Q12809, P30542, Q9JIS7, P22460, Q8BLA8, P02545, P19838, Q99714, B2RXH2, Q03164, Q16637, Q9NUW8, P16473, P10636, P33261, P51450, Q16665, P00352, Q02410, Q01453, Q9F4F7, P97697, Q194T2, P18054, P28482, O97447, P54132, P00811, P15428, P42345, P40225, P04637, P08482, P10635, P11712, O75496, Q96QE3, Q16236, O75164, P07550, P21728, Q8WTS1, Q99549, O89049, O60240, Q96KQ7, O15648, P83916, Q9UIF8, O15296, P05177, P00390, P11473, P19793, Q99700, P03372, P10275, Q96RI1, Q9UNA4, Q03181, P49798, P37231, P84022, P04150, O94782, P08183, P41597, P12530, P28335, P24557, P25094, P11021, P01375, Q9R1A7, Q57TT1, P51449, O94956, Q9NPD5, Q9Y6L6, P48776, Q8R0V5, P28776, O35505, O42275, P81908, O75874, Q9NR56, P53350, P27695, O00167, Q01668, P14902, Q9Y5Y9, O70127, O95342, P51589, Q15746, Q8HY88, Q09470, Q92887, O15438, O15439, Q06432, P0DTD1, P04792, P05412 |
| Iupac Name | dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Prediction Hob | 1.0 |
| Target Id | NPT2691, NPT109, NPT217, NPT218, NPT98, NPT3839, NPT483, NPT163, NPT149, NPT48, NPT1038, NPT93, NPT50, NPT210, NPT51, NPT213, NPT211, NPT94, NPT796, NPT1119, NPT282, NPT58, NPT151, NPT940, NPT96, NPT539, NPT110, NPT212, NPT10, NPT208, NPT1557, NPT216, NPT234, NPT292, NPT300, NPT668, NPT5071, NPT713, NPT1463, NPT2626, NPT2592, NPT1028 |
| Xlogp | 2.2 |
| Molecular Formula | C17H18N2O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HYIMSNHJOBLJNT-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.448 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.773 |
| Compound Name | Nifedipine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 346.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.116 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 346.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.154901800000001 |
| Inchi | InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3 |
| Smiles | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all