thiopental

Ligand id: 2579

Name: thiopental

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 90.29
Molecular weight 242.11
XLogP 2.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (approval date not specified))
IUPAC Name
5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
International Nonproprietary Names
INN number INN
433 thiopental sodium
Synonyms
Sodium Pentothal® | thiopental sodium | Trapanal®
Database Links
BindingDB Ligand 50058058
CAS Registry No. 76-75-5 (source: Scifinder)
ChEBI CHEBI:102166
ChEMBL Ligand CHEMBL441
DrugBank Ligand DB00599
PubChem CID 3000715
Search Google for chemical match using the InChIKey IUJDSEJGGMCXSG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IUJDSEJGGMCXSG
Search PubMed clinical trials thiopental sodium
Search PubMed titles thiopental sodium
Search PubMed titles/abstracts thiopental sodium
Search UniChem for chemical match using the InChIKey IUJDSEJGGMCXSG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IUJDSEJGGMCXSG
Wikipedia Sodium_thiopental
Comments
Thiopential is a barbiturate general anesthetic.