PIRBUTEROL

Search structure
Synonyms:
Status: Approved (1986)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R03AC08
UNII: OG645J8RVW

Structure
InChI Key VQDBNKDJNJQRDG-UHFFFAOYSA-N
Smile CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
InChI
InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H20N2O3
Molecular Weight 240.3
AlogP 0.7
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 85.61
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 8245
ChEMBL CHEMBL1094966
DrugBank DB01291
DrugCentral 2199
EPA CompTox DTXSID0046937
FDA SRS OG645J8RVW
Human Metabolome Database HMDB0015407
Guide to Pharmacology 7272
KEGG C07807
PharmGKB PA450983
PubChem 4845
SureChEMBL SCHEMBL4819
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