budesonide

Ligand id: 7434

Name: budesonide

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 93.06
Molecular weight 430.24
XLogP 1.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (1997))
International Nonproprietary Names
INN number INN
4145 budesonide
Synonyms
Entocort® | Pulmicort® | S-1320 | Uceris®
Database Links
CAS Registry No. 51333-22-3
ChEBI CHEBI:3207
ChEMBL Ligand CHEMBL1370
DrugBank Ligand DB01222
PubChem CID 5281004
Search Google for chemical match using the InChIKey VOVIALXJUBGFJZ-KWVAZRHASA-N
Search Google for chemicals with the same backbone VOVIALXJUBGFJZ
Search PubMed clinical trials budesonide
Search PubMed titles budesonide
Search PubMed titles/abstracts budesonide
Search UniChem for chemical match using the InChIKey VOVIALXJUBGFJZ-KWVAZRHASA-N
Search UniChem for chemicals with the same backbone VOVIALXJUBGFJZ
Wikipedia Budesonide
Comments
Budesonide is a glucocorticoid steroid. The INN document specifies that the approved drug consists of a racemic mixture of two epimers, based on the stereocentre of the carbon where the butyl chain meets the rest of the molecule. Our structure does not specify strereochemistry at this point and represents the mixture. The two epimers are represented by CID 40000 and CID 63006.