Alprenolol
PubChem CID: 2119
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| Compound Synonyms | alprenolol, 13655-52-2, Alpheprol, Alfeprol, Alprenololum, Alfeprol [Russian], Alprenololum [INN-Latin], Alprenolol [INN:BAN], 1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol, Alprenolol (INN), 1-(2-Allylphenoxy)-3-isopropylamino-2-propanol, Aprenololo, (RS)-Alprenolol, dl-Alprenolol, Atenenol, 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol, S-(-)-ALPRENOLOL, 2-Propanol, 1-(o-allylphenoxy)-3-(isopropylamino)-, EINECS 237-140-9, 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-, Aptin, DTXSID0045127, CHEBI:51211, 877K5MQ27W, ALPRENOLOL [MI], ALPRENOLOL [INN], NSC-759561, ALPRENOLOL [MART.], 2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, ALPRENOLOL [WHO-DD], (-)-1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol, CHEMBL266195, 122259-67-0, DTXCID8025127, C15H23NO2, (ChemIDplus), [ChemIDplus}, NSC 759561, NCGC00015099-05, 1-[2-(propen-2-ylphenoxy)]-3-(isopropylamino)propan-2-ol, {2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}(propan-2-yl)amine, Alprenololum (INN-Latin), ALPRENOLOL (MART.), (RS)-1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol, 2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-)2-(2-PROPENYL)PHENOXY)-, CAS-13655-52-2, alprenololo, 1-(2-(propen-2-ylphenoxy))-3-(isopropylamino)propan-2-ol, UNII-877K5MQ27W, Alprenolol?, (2-hydroxy-3-(2-(prop-2-en-1-yl)phenoxy)propyl)(propan-2-yl)amine, MFCD00242735, Spectrum_000168, Prestwick0_000250, Prestwick1_000250, Prestwick2_000250, Prestwick3_000250, Spectrum2_001814, Spectrum3_001066, Spectrum4_001216, Spectrum5_001414, ALPRENOLOL,(+), ALPRENOLOL,(-), Lopac0_000152, Oprea1_368995, SCHEMBL34636, BSPBio_000040, BSPBio_002652, GTPL563, KBioGR_001652, KBioSS_000648, DivK1c_000015, SPBio_001827, SPBio_002259, BPBio1_000044, (RS)-Alprenolol, dl-Alprenolol, BDBM25764, KBio1_000015, KBio2_000648, KBio2_003216, KBio2_005784, KBio3_001872, NINDS_000015, HMS2089G06, BCP29423, HY-B1517, Tox21_110084, AKOS016376219, Tox21_110084_1, CCG-204247, CS-5734, DB00866, SDCCGSBI-0050140.P004, IDI1_000015, NCGC00015099-03, NCGC00015099-04, NCGC00015099-06, NCGC00015099-08, NCGC00015099-09, NCGC00015099-11, NCGC00015099-12, NCGC00015099-16, NCGC00089741-02, NCGC00089741-03, NCGC00089741-04, DA-70730, DA-77607, MS-23533, 1(oAllylphenoxy)3(isopropylamino)2propanol, SBI-0050140.P003, AB00053431, NS00008745, D07156, F85411, AB00053431-13, AB00053431_14, L000961, Q201370, 1-(2-Allylphenoxy)-3-(isopropylamino)-2-propanol #, BRD-A00993607-003-05-5, BRD-A00993607-003-15-4, BRD-A00993607-003-24-6, 2Propanol, 1((1methylethyl)amino)3(2(2propenyl)phenoxy), 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propen-1-yl)phenoxy]-, 237-140-9 |
|---|---|
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 231.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02768, Q02769, P08588, Q28044, P13945, P26255, P07550, P19327, P02545, n.a., P21728, Q96KQ7, P08183, Q99700, Q9UBT6, P25094, Q9Y6L6, Q9NPD5, P15289, P18090, P10608, P51589, O95342, Q92887, O15438, O15439, P12931, P08908, Q16236 |
| Iupac Name | 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol |
| Prediction Hob | 0.0 |
| Target Id | NPT225, NPT483, NPT226, NPT92 |
| Xlogp | 3.1 |
| Molecular Formula | C15H23NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PAZJSJFMUHDSTF-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -2.521 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.736 |
| Compound Name | Alprenolol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 249.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 249.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 249.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0576614666666666 |
| Inchi | InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 |
| Smiles | CC(C)NCC(COC1=CC=CC=C1CC=C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all