bambuterol   

GtoPdb Ligand ID: 6601

Synonyms: Bambec® | Oxeol®
bambuterol is an approved drug
Compound class: Synthetic organic
Comment: Bambuterol has marketing approval in many countries but is not approved for sale in the US or UK.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 91.34
Molecular weight 367.21
XLogP 1.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(CNC(C)(C)C)O
Isomeric SMILES O=C(N(C)C)Oc1cc(cc(c1)OC(=O)N(C)C)C(CNC(C)(C)C)O
InChI InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3
InChI Key ANZXOIAKUNOVQU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
Is prodrug? Yes
Active form terbutaline
IUPAC Name
[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
International Nonproprietary Names
INN number INN
5304 bambuterol
Synonyms
Bambec® | Oxeol®
Database Links
CAS Registry No. 81732-46-9
ChEMBL Ligand CHEMBL521589
DrugBank Ligand DB01408
DrugCentral Ligand 285
GtoPdb PubChem SID 178103214
PubChem CID 54766
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Wikipedia Bambuterol