General Information of Drug (ID: DR5182)
Drug Name	Bitolterol
Prodrug Info	Bitolterol is the prodrug of SNX-2122
Synonyms	Tornalate
Indication	Chronic obstructive pulmonary disease [ICD11: CA22]				Approved	[1]
	Asthma [ICD11: ICD11: CA23]				Withdrawn from market	[2]
Structure
	3D MOL			2D MOL
Pharmaceutical Properties	Molecular Weight		461.5	Topological Polar Surface Area		84.9
	Heavy Atom Count		34	Rotatable Bond Count		10
	Hydrogen Bond Donor Count		2	Hydrogen Bond Acceptor Count		6
Cross-matching ID	PubChem CID 35330 ChEBI ID CHEBI:3133 CAS Number 30392-40-6 TTD Drug ID D06RUL Formula C28H31NO5 Canonical SMILES CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)O)OC(=O)C3=CC=C(C=C3)C InChI InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3 InChIKey FZGVEKPRDOIXJY-UHFFFAOYSA-N

The Metabolic Roadmap of This Drug

The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF SNX-2122 DM020052 N. A. Hydrolysis - Hydrolyzation 1 [3]

The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF MR014206 Bitolterol Colterol Hydrolysis - Hydrolyzation ES [3]

References
1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3	Bitolterol mesylate: a beta-adrenergic agent. Chemistry, pharmacokinetics, pharmacodynamics, adverse effects and clinical efficacy in asthma

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.