Thiopental

enlarge

Systematic / IUPAC Name: 5-Ethyl-5-(2-pentanyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

ID: Reference1587

Other Names: 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid;
2-Thio-5-ethyl-5-sec-pentylbarbituric acid;
4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-;
Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-;
5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione ; more

Formula: C11H18N2O2S

Class: Therapeutics/Prescription Drugs

Spectral Data

Thiopental mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Q Exactive HF Orbitrap
No. of Spectral Trees 2
No. of Spectra 113
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/20/2015 1:49:37 PM
View Mass Spec Data > >

Identificators

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
Canonical SMILES CCCC(C)C1(C(=O)NC(=S)NC1=O)CC
CAS 76755
Splash
Other Names 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid;
2-Thio-5-ethyl-5-sec-pentylbarbituric acid;
4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-;
Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-;
5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione;
5-Ethyl-2-mercapto-5-(1-methylbutyl)pyrimidine-4,6(1H,5H)-dione;
Thiopentone;
Penthiobarbital;
Thiomebumal;
Thionembutal;
Pentothiobarbital;
Thiopentobarbital;
Intraval;
Trapanal;
Thiopentobarbitone;
Thiopentobarbituric acid;
Thiothal;
Tiopentale

In Other Databases

Wikipedia Thiopental
ChemIDPlus 000071738; 000076755
PubChem 3000715
KEGG C07521; D00714
ChemSpider 2272258
DrugBank APRD00660
ChEMBL CHEMBL441
ChEBI CHEBI:102166