thiopental   Click here for help

GtoPdb Ligand ID: 2579

Synonyms: Sodium Pentothal® | thiopental sodium | Trapanal®
Approved drug
thiopental is an approved drug (FDA (approval date not specified))
Compound class: Synthetic organic
Comment: Thiopential is a barbiturate general anesthetic.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES CCCC(C1(CC)C(=O)NC(=S)NC1=O)C
Isomeric SMILES CCCC(C1(CC)C(=O)NC(=S)NC1=O)C
InChI InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChI Key IUJDSEJGGMCXSG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (approval date not specified))
IUPAC Name Click here for help
5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
International Nonproprietary Names Click here for help
INN number INN
433 thiopental sodium
Synonyms Click here for help
Sodium Pentothal® | thiopental sodium | Trapanal®
Database Links Click here for help
BindingDB Ligand 50058058
CAS Registry No. 76-75-5 (source: Scifinder)
ChEBI CHEBI:102166
ChEMBL Ligand CHEMBL441
DrugBank Ligand DB00599
DrugCentral Ligand 2633
GtoPdb PubChem SID 135651257
PubChem CID 3000715
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Search PubMed clinical trials thiopental sodium
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Search UniChem for chemical match using the InChIKey IUJDSEJGGMCXSG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IUJDSEJGGMCXSG
Wikipedia Sodium_thiopental