Verapamil
PubChem CID: 2520
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| Compound Synonyms | VERAPAMIL, 52-53-9, Iproveratril, Dilacoran, Vasolan, Isoptimo, Verapamilo, Verapamilum, Falicard, Finoptin, Isoptin, Lekoptin, Isoptine, Calan, D-365, Verapamilum [INN-Latin], Verapamilo [INN-Spanish], Isotopin, Securon, Calcan, dl-Verapamil, (+/-)-VERAPAMIL, r,s-verapamil, CP-16533-1, Izoptin, Verapamil slow release, CCRIS 6749, 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, 5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile, 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile, Ansyr, EINECS 200-145-1, UNII-CJ0O37KU29, Verelan, Verpamil, CJ0O37KU29, Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, Isoptin SR, Verelan PM, Covera-HS, NSC 272306NA, Calan SR, CP-16,533-1, 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile, EINECS 260-462-6, alpha-((N-Methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile, Tarka, alpha-Isopropyl-alpha-((N-methyl-N-homoveratryl)-gamma-aminopropyl)-3,4-dimethoxyphenylacetonitrile, CP-165331, Valeronitrile, 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-, alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)-methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile, CP 16533-1, D 365, DTXSID9041152, CHEBI:77733, HSDB 3928, NSC-272306NA, Anpec, Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino) propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, Verapamil AL, NCGC00016083-09, Verapamilum (INN-Latin), Verapamilo (INN-Spanish), 5-[(3,4-Dimethoxyphenethyl)methylamino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile, Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)-, (+/-)-Verapamil hydrochlorid, CP-165331 / CP-16533-1, DTXCID7021152, Verapamil [USAN:INN:BAN], (+/-)-Verapamil, CP-16533-1, CAS-52-53-9, (+/-)-5-((3,4-DIMETHOXYPHENETHYL)METHYLAMINO)-2-(3,4-DIMETHOXYPHENYL)-2-ISOPROPYLVALERONITRILE, C27H38N2O4, Verapamil (USAN/INN), DTXSID501009404, Calan (Salt/Mix), Akilen (Salt/Mix), MFCD00056240, Verapamilum (Latin), Isoptin (Salt/Mix), Cordilox (Salt/Mix), delta-365, alpha-isopropyl-alpha-, VERAPAMIL [INN], VERAPAMIL [MI], Covera-HS (Salt/Mix), VERAPAMIL [USAN], Prestwick0_000141, Prestwick1_000141, Prestwick2_000141, Prestwick3_000141, Spectrum2_001740, Spectrum4_000906, Spectrum5_001786, VERAPAMIL [VANDF], ()-Verapamil hydrochlorid, VERAPAMIL [WHO-DD], CHEMBL6966, Lopac0_001237, SCHEMBL16742, BSPBio_000242, BSPBio_001513, BSPBio_002358, KBioGR_000233, KBioGR_001372, KBioGR_002343, KBioSS_000233, KBioSS_002346, 56949-77-0, MLS006011414, DivK1c_000399, SPBio_001820, SPBio_002181, BPBio1_000268, CHEBI:9948, GTPL2406, CP 16533-1 (Verapamil), SCHEMBL13287282, (A+/-)-Verapamil hydrochloride, BDBM81939, KBio1_000399, KBio2_000233, KBio2_002343, KBio2_002801, KBio2_004911, KBio2_005369, KBio2_007479, KBio3_000465, KBio3_000466, KBio3_002823, C08DA01, ()-Verapamil, CP-16533-1, cMAP_000023, NINDS_000399, Bio1_000425, Bio1_000914, Bio1_001403, Bio2_000233, Bio2_000713, HMS1791L15, HMS1989L15, HMS2089H17, HMS3402L15, Tox21_110300, NSC_62969, STK538085, AKOS005468962, Tox21_110300_1, CCG-205311, DB00661, FV02354, SDCCGSBI-0051204.P005, CAS_52-53-9, IDI1_000399, IDI1_033983, NCGC00016083-04, NCGC00016083-05, NCGC00016083-06, NCGC00016083-07, NCGC00016083-08, NCGC00016083-10, NCGC00016083-11, NCGC00016083-13, NCGC00016083-14, NCGC00016083-15, NCGC00016083-16, NCGC00016083-17, NCGC00016083-18, NCGC00016083-20, NCGC00016083-25, NCGC00016083-34, NCGC00024710-04, NCGC00024710-05, NCGC00024710-06, NCGC00024710-07, NCGC00024710-08, NCGC00024710-09, NCGC00344584-01, 2-(3,4-Dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-(1-methylethyl) pentanenitrile, 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile, AC-16016, BP-21223, HY-14275, NCI60_020143, SMR001550201, SBI-0051204.P003, (-)-3-(3,4-dimethoxyphenyl)-6-[(5,6-dimethoxyphenethyl)methylamino]hexane-3-carbonitrile, DB-349548, AB00053495, CS-0002967, NS00000313, C07188, D02356, E75969, EN300-708774, AB00053495-20, AB00053495_21, L001330, Q410291, BRD-A09533288-001-02-7, BRD-A09533288-003-05-6, BRD-A09533288-003-29-6, BRD-A09533288-003-31-2, F2173-0851, VERAPAMIL, Dexverapamil, Verapamyl hydrochloride, VERAPAMIL HYDROCHLORIDE, .alpha.-((N-Methyl-N-homoveratryl)-.gamma.-aminopropyl)-3,4-dimethoxyphenylacetonitrile, 2-(3,4-Dimethoxyphenyl)-5-((2-(3,4-dimethoxyphenyl)ethyl)(methyl)amino)-2-isopropylpentanenitrile, (+/-)-, 2-(3,4-Dimethoxyphenyl)-5-[[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino]-2-isopropylpentanenitrile #, 200-145-1, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino) propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-benzeneacetonitrile, alpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile, rac-2-(3,4-dimethoxyphenyl)-5-((2-(3,4-dimethoxyphenyl)ethyl)(methyl)amino)-2-(propan-2-yl)pentanenitrile |
|---|---|
| Topological Polar Surface Area | 64.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 33.0 |
| Description | A calcium channel blocker that is a class IV anti-arrhythmia agent. -- Pubchem, Calcium channel antagonists can be quite toxic. In the management of poisoning, early recognition is critical. Calcium channel antagonists are frequently prescribed, and the potential for serious morbidity and mortality with over dosage is significant. Ingestion of these agents should be suspected in any patient who presents in an overdose situation with unexplained hypotension and conduction abnormalities. The potential for toxicity should be noted in patients with underlying hepatic or renal dysfunction who are receiving therapeutic doses. (PMID 8213877) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 606.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02768, n.a., P15381, Q12809, Q9NY46, P08183, P27732, P16257, P22002, Q13936, Q02485, Q28998, Q28997, P18089, P08684, P21447, P06795, P06199, P33527, Q9UNQ0, Q92887, O15245, P0A0J7, Q03164, Q16236, Q96KQ7, P10632, Q99700, O89049, P49798, P43140, P15823, P08913, P35462, P25021, P19327, P28223, P41595, P28335, P31645, Q96QA9, O35913, O15439, Q5T3U5, Q9Z0E8, P46721, O76082, Q9R141, P46720, Q9H015, O95342, P43220, O94956, Q9NPD5, Q9Y6L6, Q9N623, P22001, Q9NUW8, Q14524, O35505, O60840, P10635, P33261, P11712, P05177, P51589, P20813, O75387, O70127, O15438, A0R5K5, P03522, P0DTD1, P10275 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT98, NPT668, NPT2691, NPT109, NPT1422, NPT1594, NPT613, NPT628, NPT222, NPT244, NPT252, NPT290, NPT291, NPT292, NPT295, NPT713, NPT2854, NPT2856, NPT73, NPT213, NPT110, NPT1463 |
| Xlogp | 3.8 |
| Superclass | Benzenoids |
| Subclass | Phenylbutylamines |
| Molecular Formula | C27H38N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SGTNSNPWRIOYBX-UHFFFAOYSA-N |
| Fcsp3 | 0.5185185185185185 |
| Logs | -3.678 |
| Rotatable Bond Count | 13.0 |
| State | Solid |
| Logd | 3.357 |
| Synonyms | Akilen, Anpec, Apo-Verap, Arpamyl LP, Berkatens, Calan, Calan SR, Calaptin, Calaptin 240 SR, Calcan, Cardiabeltin, Cardiagutt, Cardibeltin, Cardioprotect, Caveril, Civicor, Civicor Retard, Coraver, Cordilox, Cordilox SR, Corpamil, Covera-Hs, D-365, delta-365, Dignover, Dilacoran, Dilacoran HTA, Durasoptin, Elthon, Falicard, Finoptin, Flamon, Geangin, Harteze, Hexasoptin, Hexasoptin Retard, Hormitol, Ikacor, Ikapress, Inselon, Iproveratril, Isoptin, Isoptin Retard, Isoptin SR, Isoptine, Isoptino, Isotopin, Izoptin, Jenapamil, Lekoptin, Lodixal, Magotiron, Manidon, Manidon Retard, Novapamyl LP, Novo-Veramil, Nu-Verap, Ormil, Praecicor, Quasar, Rapam, Robatelan, Securon, Tarka, Univer, Univex, Vasolan, Vasomil, Vasopten, Vera-Sanorania, Verabeta, Veracaps SR, Veracor, Verahexal, Veraloc, Veramex, Veramil, Verapamil, Verapamil Acis, Verapamil AL, Verapamil Atid, Verapamil Basics, Verapamil Ebewe, Verapamil hcl, Verapamil Henning, Verapamil Injection, Verapamil MSD, Verapamil NM, Verapamil NM Pharma, Verapamil Nordic, Verapamil PB, Verapamil Riker, Verapamil SR, Verapamil Verla, Verapamil-AbZ, Verapamilo, Verapamilum, Verapin, Verapress 240 SR, Verasal, Verasifar, Veratensin, Verdilac, Verelan, Verelan PM, Verelan SR, Veroptinstada, Verpamil, Vetrimil, Vortac |
| Substituent Name | Phenylbutylamine, O-dimethoxybenzene, Dimethoxybenzene, Phenylpropane, Phenethylamine, Benzyl-cyanide, Methoxybenzene, Phenol ether, Anisole, Aralkylamine, Alkyl aryl ether, Tertiary aliphatic amine, Tertiary amine, Nitrile, Carbonitrile, Ether, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Aromatic homomonocyclic compound |
| Compound Name | Verapamil |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 454.283 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.283 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 454.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.45737910909091 |
| Inchi | InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3 |
| Smiles | CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Melegueta (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cynanchum Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Euphorbia Portlandica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Kopsia Pauciflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Momordica Balsamina (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Rhodomyrtus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Stephania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Tabernaemontana Corymbosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Taxus Cuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all