(R)-Atenolol
PubChem CID: 180559
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| Compound Synonyms | (R)-(+)-Atenolol, (R)-Atenolol, 56715-13-0, (+)-Atenolol, R(+)-Atenolol, (R)-2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide, Atenolol, (+)-, R-(+)-Atenolol, CHEBI:55352, (+)-(R)-Atenolol, MFCD00074917, YG132I00WY, DTXSID0045753, Benzeneacetamide, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (R)-, Prenormin, 2-[4-({(2R)2-hydroxy-3-[(propan-2-yl)amino]propyl}oxy)phenyl]acetamide, DTXCID8025753, Vasaten, (+)-4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetamide, 2-{4-[(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy]phenyl}acetamide, SMR000326747, SR-01000075276, UNII-YG132I00WY, RS-atenolol, 2-(4-(((2R)2-hydroxy-3-((propan-2-yl)amino)propyl)oxy)phenyl)acetamide, Benzeneacetamide, 4-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, BENZENEACETAMIDE, 4-((2R)-2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-, NCGC00093636-03, 2TN, atenolol-(+), CAS-56715-13-0, atenolol-(+/-), Prestwick0_000953, Prestwick1_000953, Prestwick2_000953, Prestwick3_000536, (R)-(+)-Atenolol?, ATENOLOL, (R)-, Lopac0_000146, SCHEMBL18120, BSPBio_000551, 2-(4-(2-Hydroxy-3-(Isopropylamino)propoxy)phenyl)ethanamide, MLS001332497, MLS001332498, MLS002154070, BIDD:GT0478, SPBio_003095, BPBio1_000607, CHEMBL1230004, (R)-(+)-Atenolol, 99%, HMS1570P08, HMS2096L13, HMS2235G14, HMS3713L13, HY-B2111, Tox21_111211, 2-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide, GEO-02767, AKOS017343045, Tox21_111211_1, CCG-204241, DB06987, FA18007, GS-0675, NCGC00015007-14, NCGC00093636-04, NCGC00093636-05, A-142, AB00513974, CS-0020257, EU-0100146, H11709, (R)-(+)-Atenolol, (R)-Atenolol, (+)-Atenolol, AB00513974_06, EN300-24409966, SR-01000075276-1, SR-01000075276-2, BRD-K68075732-001-03-5, BRD-K68075732-001-11-8, Q27095897, (R)-(+)-ATENOLOL, (R)-ATENOLOL, (+)-ATENOLOL |
|---|---|
| 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 | P00811, P83916, P43220, P27695, n.a., P0DTD1 |
| Iupac Name | 2-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C14H22N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | METKIMKYRPQLGS-GFCCVEGCSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.45 |
| Rotatable Bond Count | 8.0 |
| Logd | -0.043 |
| Compound Name | (R)-Atenolol |
| 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 | -1.7639984105263156 |
| 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-/m1/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