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Atenolol

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C14H22N2O3 · 266.34 g/mol

IUPAC name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

Also called Tenormin, beta blocker

Drugs
Open in Athanor
The structure of Atenolol
Drawn from its SMILES with RDKit
Harmful or irritantHealth hazardWarningHarmful if swallowed · Causes serious eye irritation · Suspected of causing cancer · May cause harm to breast-fed children

Names and identifiers

IUPAC name
2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Synonyms
Tenormin, beta blocker, Prenormine
+ 36 more

Myocord, Duraatenolol, Betacard, Blokium, Corotenol, Normiten, Atehexal, Betablok, Cuxanorm, Juvental, Selobloc, Tenoblock, Antipressan, Atenblock, Farnormin, Internolol, Premorine, Vericordin, Anselol, Atcardil, Atecard, Atendol, Atereal, Evitocor, Hypoten, Ibinolo, Lotenal, Normalol, Prenolol, Stermin, Tenidon, Tenolol, Tenoprin, Tensimin, Vascoten, Wesipin

Molecular formula
C14H22N2O3
Empirical formula
C14H22N2O3
Molecular weight
266.34 g/mol
Exact mass
266.16304
CAS number
29122-68-7
PubChem CID
2249
Canonical SMILES
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
Isomeric SMILES
CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O
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)
InChIKey
METKIMKYRPQLGS-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

Appearance
Colorless crystals[1]
2 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–White, crystalline powder[1] Hazardous Substances Data Bank (HSDB)cites McEvoy, G.K. (ed.). American Hospital Formulary Service - Drug Information 92. Bethesda, MD: American Society of Hospital Pharmacists, Inc., 1992 (Plus Supplements 1992)., p. 845
–shownColorless crystals[1] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 99
Solubility in water
In water, 1.33 × 10⁴ mg/l @ 25 °C[1]
2 values

From Hazardous Substances Data Bank (HSDB), the most authoritative source here.

ValueAs writtenSource
–Freely soluble in 1 N HCl (300 mg/ml @ 25 °C); less soluble in chloroform (3 mg/ml @ 25 °C)[1] Hazardous Substances Data Bank (HSDB)cites Physicians' Desk Reference. 57th ed. Montvale, NJ: Medical Economics Co., Inc., p. 685 (2002)
–shownIn water, 1.33X10+4 mg/l @ 25 °C[1] Hazardous Substances Data Bank (HSDB)cites PMID:11604037 McFarland JW et al; J Chem Inf Comput Sci 41: 1355-59 (2001)
log P
log Kow= 0.16[1]

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms
19
Rings
1
Aromatic rings
1
Fraction sp³ carbons (Fsp3)
0.5
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
8
TPSA (Ų)
84.6
Formal charge
0
XLogP3
0.2 PubChem
Complexity
263 PubChem
Stereocenters
0 defined, 1 undefinedCIP: C6: undefined
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C63.13%
  • H8.33%
  • N10.52%
  • O18.02%

Isotope pattern

100%266.16316%267.1661.9%268.169269.171

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
0.45 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-1.48 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.44 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 266.34
  • log P ≤ 5 (Crippen): 0.45
  • H-bond donors ≤ 5: 3
  • H-bond acceptors ≤ 10: 4

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Most widely reported: 89 company reports to ECHA. Source [2].

  • Harmful or irritant
  • Health hazard
  • H302Harmful if swallowed (79.8% of reports)
  • H319Causes serious eye irritation (67.4% of reports)
  • H351Suspected of causing cancer (64% of reports)
  • H362May cause harm to breast-fed children (74.2% of reports)

Precautionary statements: P203, P260, P263, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, P501

View all classifications (3)
  • [2] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 3.4% (3 of 89) of reports.
  • [2] European Chemicals Agency (ECHA) · 89 reports · WarningH302, H319, H351, H362
  • [2] European Chemicals Agency (ECHA) · 3 reports · DangerH360, H362, H411

Storage

  • Atenolol tablets ... Should be protected from heat, light, and moisture and stored in well closed, light-resistent containers at 20-30 °C. Atenolol injection should be stored at room temperature between 20-25 °C and protected from light.[1]

Safety data sheets on the supplier’s page: Sigma-Aldrich, Sinfoo Biotech, AKos Consulting & Solutions.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
  2. [2]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  3. [3]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  6. [6]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  7. [7]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  8. [8]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  9. [9]RRUFF Project · Linked only · via PubChem · retrieved 2026-10-14
  10. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  11. ·Literature on PubChem

Data last updated 2026-10-14.