Home › Entities › 1-(tert-Butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol › penbutolol

penbutolol

chemical compound
Class type of: 1-(tert-Butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol Q944244

Facts

14 properties
Instance of
type of chemical entity
Subclass of
1-(tert-Butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
Has use
medication
Canonical SMILES
CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O
Chemical formula
C₁₈H₂₉NO₂
Defined daily dose
+40
Found in taxon
Caenorhabditis elegans
Isomeric SMILES
CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O
LiverTox likelihood score
LiverTox toxicity likelihood category E
Mass
+291.219829
Medical condition treated
myocardial infarction, arterial hypertension, angina pectoris, arterial hypertension
Stereoisomer of
d-Penbutolol
Subject has role
beta blocker, antihypertensive drug
World Health Organisation international non-proprietary name
penbutolol
🏷️ Also known as
en Penbutololum en 1-(tert-Butylamino)-3-(o-cyclopentylphenoxy)propan-2-ol en 2-Propanol, 1-(2-cyclopentylphenoxy)-3-((1,1-dimethylethyl)amino)-, (S)- en (2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol en HOE-39-893d en HOE 893 en HOE-893d en HOE 893D en Hostabloc en Levatol® en Levatolol en penbutolol en Penbutolol ar بنبيوتولول fa پنبوتولول uk Пенбутолол zh 喷布洛尔
🔖 Identifiers · 32
ATC code
C07AA23
CAS Registry Number
38363-40-5
ChEBI ID
7954
ChEMBL ID
CHEMBL1290
ChemSpider ID
34369
DSSTOX compound identifier
DTXCID903428
DSSTox substance ID
DTXSID8023428
DrugBank ID
DB01359
DrugCentral ID
2078
Freebase ID
/m/0bdsdx
Guide to Pharmacology Ligand ID
7263
Human Metabolome Database ID
HMDB0015447
Show all 32 identifiers +20
InChI
InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1
InChIKey
KQXKVJAGOJTNJS-HNNXBMFYSA-N
KBpedia ID
PenbutololSulfate
KEGG ID
C07416, D08074
LiverTox ID
Penbutolol
MassBank accession ID
MSBNK-Waters-WA002579, MSBNK-Waters-WA002580, MSBNK-Waters-WA002581, MSBNK-Waters-WA002582, MSBNK-Waters-WA002583
MeSH concept ID
M0016117
MeSH descriptor ID
D010394
MeSH tree code
D02.033.100.624.698.688, D02.033.755.624.698.688, D02.092.063.624.698.688
MedlinePlus drug identifier
a601091
Microsoft Academic ID (discontinued)
2779307192
NDF-RT ID
N0000147964
PatientsLikeMe treatment ID
penbutolol
Probes And Drugs ID
PD009534
PubChem CID
37464
RxNorm CUI
7973
SureChEMBL ID
41408
UMLS CUI
C0030812
UNII
78W62V43DY
UniChem compound ID
256596

Report an error or request removal Lineage (PROV-JSON)

🔗 Connections
Medical condition treated 4
myocardial infarction, arterial hypertension, arterial hypertension, angina pectoris
← Drug or therapy used for treatment 3
myocardial infarction, arterial hypertension, angina pectoris
Subject has role 2
beta blocker, antihypertensive drug
Found in taxon 1
Caenorhabditis elegans
Has use 1
medication
Press Enter · cited answer in seconds

Summary

penbutolol is a type of chemical entity[1].

Key Facts

  • Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O[2]
  • Chemical formula: C₁₈H₂₉NO₂[3]
  • Subclass of: 1-(tert-Butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol[4]
  • Has use: medication[5]
  • Found in taxon: Caenorhabditis elegans[6]
  • Isomeric SMILES: CC(C)(C)NCC@@HOC@@HO">[7]
  • Mass: 291.219829 dalton[8]
  • Medical condition treated: myocardial infarction[9], arterial hypertension[10], angina pectoris[11]
  • World Health Organisation international non-proprietary name: penbutolol[12]
  • Subject has role: beta blocker[13], antihypertensive drug[14]
  • Stereoisomer of: d-Penbutolol[15]
  • Defined daily dose: 40 milligram[16]
  • LiverTox likelihood score: LiverTox toxicity likelihood category E[17]

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . PubChem. Retrieved . wikidata.org.
  2. [3] ↑ . PubChem. Retrieved . wikidata.org.
  3. [4] ↑ . wikidata.org.
  4. [5] ↑ . wikidata.org.
  5. [6] ↑ . Modeling Meets Metabolomics-The WormJam Consensus Model as Basis for Metabolic Studies in the Model Organism. wikidata.org.
  6. [7] ↑ . PubChem. Retrieved . wikidata.org.
  7. [8] ↑ . PubChem. Retrieved . wikidata.org.
  8. [9] ↑ . NDF-RT. Retrieved . wikidata.org.
  9. [10] ↑ . NDF-RT. Retrieved . wikidata.org.
  10. [11] ↑ . NDF-RT. Retrieved . wikidata.org.
  11. [12] ↑ . ChEMBL. Retrieved . wikidata.org.
  12. [13] ↑ . NDF-RT. Retrieved . wikidata.org.
  13. [14] ↑ . Medical Subject Headings. Retrieved . wikidata.org.
  14. [15] ↑ . wikidata.org.
  15. [16] ↑ . whocc.no. whocc.no. Provenance: wikidata.org.
  16. [17] ↑ . LiverTox. Retrieved . ncbi.nlm.nih.gov. Provenance: wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). penbutolol. Retrieved November 4, 2026, from https://4ort.xyz/entity/penbutolol
MLA “penbutolol.” 4ort.xyz Knowledge Graph, 4ort.xyz, 4 Nov. 2026, https://4ort.xyz/entity/penbutolol.
BibTeX @misc{4ortxyz_penbutolol_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{penbutolol}}, year = {2026}, url = {https://4ort.xyz/entity/penbutolol}, note = {Accessed: 2026-11-04}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): penbutolol — https://4ort.xyz/entity/penbutolol (retrieved 2026-11-04)

Canonical URL: https://4ort.xyz/entity/penbutolol · Last refreshed:

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

  1. 20w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗
    Defined daily dose → {'unit': 'Q3241121', 'amount': '+40'}
    Stereoisomer of → d-Penbutolol
    Instance of → type of chemical entity
    Has use → medication
    + 9 other properties edited (see Wikidata diff for full list)
    "/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"
Live feed via Wikidata EventStreams. New edits appear within minutes of being made on Wikidata.