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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201251
CHEMBL1201251
Compound Name ARBUTAMINE
ChEMBL Synonyms GENESA | GP-2-121-3 | ARBUTAMINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names GENESA
Molecular Formula C18H23NO4

Additional synonyms for CHEMBL1201251 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H](CNCCCCc1ccc(O)cc1)c2ccc(O)c(O)c2
Standard InChI InChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23 ...
Download InChI
Standard InChI Key IIRWWTKISYTTBL-SFHVURJKSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1201251

Molecule Features

CHEMBL1201251 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
317.4 317.1627 2.95 8 92.95 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 5 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-4.57 4.5 2.82 -.33 2 23 0.38

Structural Alerts

There are 5 structural alerts for CHEMBL1201251. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01C - CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
C01CA - Adrenergic and dopaminergic agents
C01CA22 - arbutamine

ChemSpider ChemSpider:IIRWWTKISYTTBL-SFHVURJKSA-N
Wikipedia Arbutamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201251



ACToR 128470-16-6
ChEBI 50580
DrugBank DB01102
EPA CompTox Dashboard DTXSID00155908
FDA SRS B07L15YAEV
Human Metabolome Database HMDB15234
IBM Patent System 144A5FF3F49162DE8C708E750A27397C
Nikkaji J561.823A
PubChem 60789
PubChem: Thomson Pharma 15074005
SureChEMBL SCHEMBL521645

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