Esatenolol
PubChem CID: 175540
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Esatenolol, (S)-Atenolol, 93379-54-5, (-)-Atenolol, S-Atenolol, (S)-(-)-Atenolol, S(-)-Atenolol, Esatenolol [INN], S-(-)-Atenolol, Atenolol, (s)-, Atenolol, (-)-, 2-(p-((2S)-2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide, DPF757BOSR, S-(-)-4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetamide, (S)-4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide, CHEBI:31556, 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide, ESATENOLOL [JAN], ESATENOLOL [MART.], ESATENOLOL [WHO-DD], Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (S)-, DTXSID10239405, MFCD00074918, (-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide, 2-{4-[(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy]phenyl}acetamide, 2-[4-({(2S)2-hydroxy-3-[(propan-2-yl)amino]propyl}oxy)phenyl]acetamide, ESATENOLOL (MART.), 4-((2S)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)BENZENEACETAMIDE, BENZENEACETAMIDE, 4-((2S)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, SR-01000597666, UNII-DPF757BOSR, esatenololum, 2-(4-((2S)-2-hydroxy-3-(propan-2-ylamino)propoxy)phenyl)acetamide, 2-(4-(((2S)2-hydroxy-3-((propan-2-yl)amino)propyl)oxy)phenyl)acetamide, Benzeneacetamide, 4-[(2S)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, NCGC00093636-03, atenolol-(-), CAS-56715-13-0, (S)(-)-atenolol, (S)-()-Atenolol, Tocris-0387, Tocris-0393, Esatenolol (JAN/INN), Lopac-A-142, Lopac-A-143, Prestwick0_000536, Prestwick1_000536, Prestwick2_000536, Prestwick3_000953, Lopac-A-7655, SCHEMBL4363, Lopac0_000156, BSPBio_000946, MLS002153864, (S)-(-)-Atenolol, powder, SPBio_002472, BPBio1_001042, CHEMBL343633, (S)-(-)-Atenolol, 99%, DTXCID90161896, HMS2097P08, HMS2235B16, HMS3260O14, HMS3266K19, HMS3411I05, HMS3675I05, HMS3714P08, Tox21_500156, GEO-02804, HY-17498A, (S)-(-)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide, AKOS015894675, CCG-204251, DB13443, GS-0672, LP00156, SDCCGSBI-0050144.P002, NCGC00015007-01, NCGC00015007-02, NCGC00015007-03, NCGC00015007-04, NCGC00015007-05, NCGC00015007-12, NCGC00016880-01, NCGC00016880-02, NCGC00016880-03, NCGC00016880-04, NCGC00016880-05, NCGC00016880-06, NCGC00016880-07, NCGC00016880-13, NCGC00024566-01, NCGC00024570-01, NCGC00024570-02, NCGC00024570-03, NCGC00024570-04, NCGC00093636-01, NCGC00093636-02, NCGC00260841-01, SMR000326748, CAS-93379-54-5, A-143, AB00513856, EU-0100156, NS00099224, D01471, EN300-18539569, SR-01000597666-1, SR-01000597666-3, BRD-K44993696-001-03-2, BRD-K44993696-001-05-7, BRD-K44993696-001-12-3, Q24255323 |
|---|---|
| Topological Polar Surface Area | 84.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P02545, P19838, B2RXH2, P16473, Q9NUW8, Q01453, P15917, P54132, P08482, P40225, P06280, P08684, Q96KQ7, P05177, O89049, P83916, P39748, P49798, O94782, n.a., P0DTD1 |
| Iupac Name | 2-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT163, NPT48, NPT210, NPT50, NPT796, NPT58, NPT96, NPT501, NPT109, NPT208 |
| Xlogp | 0.2 |
| Molecular Formula | C14H22N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | METKIMKYRPQLGS-LBPRGKRZSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.008 |
| Rotatable Bond Count | 8.0 |
| Logd | 0.403 |
| Compound Name | Esatenolol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 266.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.163 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 266.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7702480105263159 |
| Inchi | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1 |
| Smiles | CC(C)NC[C@@H](COC1=CC=C(C=C1)CC(=O)N)O |
| Nring | 1.0 |
| 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