PIRBUTEROL


Synonyms	ARA-211 Pirbuterol
Status
Molecule Category	UNKNOWN
ATC	R03AC08 R03CC07
UNII	OG645J8RVW
EPA CompTox	DTXSID0046937


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	VQDBNKDJNJQRDG-UHFFFAOYSA-N
Smiles	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

Cross References

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

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).