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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2111163
CHEMBL2111163
Compound Name TIPRENOLOL
ChEMBL Synonyms DU-21445 | TIPRENOLOL HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C13H21NO2S

Additional synonyms for CHEMBL2111163 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSc1ccccc1OCC(O)CNC(C)C
Standard InChI InChI=1S/C13H21NO2S/c1-10(2)14-8-11(15)9-16-12-6-4-5-7-13(12 ...
Download InChI
Standard InChI Key CSUNLSYSEQIDMO-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2111163

Molecule Features

CHEMBL2111163 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TIPRENOLOL
The Cochrane Collaboration TIPRENOLOL

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
255.4 255.1293 2.15 7 41.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.81 9.43 1.91 -.18 1 17 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL2111163. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CSUNLSYSEQIDMO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2111163



ACToR 39832-43-4 13379-86-7
IBM Patent System 32D2144B8573D743E3919B7FB8570135
Nikkaji J215.884A
PubChem 38353
PubChem: Thomson Pharma 15221349
SureChEMBL SCHEMBL146270

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CSUNLSYSEQIDMO-UHFFFAOYSA-N spacer
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