WHC is still in active development. Read this to understand our approach.
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tripsit

thiopental

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isomerdesign

Thiopental

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pubchem

Thiopental

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drugmap

Thiopental

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Data

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)

Synonyms: Thiopental sodium (Salt/Mix), Tiopentale [Italian],5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione,Penthiobarbital sodium (Salt/Mix), Trapanal (TN),Thiomebumal,EC 200-984-3,5-24-09-00172 (Beilstein Handbook Reference),5-ethyl-2-mercapto-5-(pentan-2-yl)pyrimidine-4,6(1H,5H)-dione,KBioSS_002273,KBio2_007408,NINDS_000993,5-ethyl-2-mercapto-5-(1-methylbutyl)pyrimidine-4,6(1H,5H)-dione,IDI1_000993, 5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione, 2-Thio-5-ethyl-5-sec-pentylbarbituric acid,5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid,Penthiobarbital, Thionembutal,4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-,SCHEMBL1611312,NCGC00159524-01,THIOPENTAL [HSDB],DTXSID1023653,5-Ethyl-2-mercapto-5-(1-methyl-butyl)-1H-pyrimidine-4,6-dione,Spectrum_001786,Thiopental, United States Pharmacopeia (USP) Reference Standard,4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-,Epitope ID:116047,Thiopental, 5-ethyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione,5-ethyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione,5-ethyl-5-(pentan-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione,DB00599,Thiopental, European Pharmacopoeia (EP) Reference Standard,THIOPENTAL CIII [USP-RS],2-Thio-5-ethyl-5-sec-pentylbarbituric acid,BDBM50058058,Nesdonal (Salt/Mix),Pentothal (Salt/Mix),THIOPENTAL [VANDF], (+/-)-Thiopental solution, Thiopentobarbituric acid,5-Ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione,SCHEMBL11946652,KBio1_000993,(.+/-.)-Thiopental, Thiopentone sodium (TN),Thiopentobarbital,(+-)-Thiopental,Spectrum5_001692,BRD-A72603112-236-02-4,JI8Z5M7NA3,CHEBI:102166,Thiothal, 4,6,(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-(9CI), Penthiobarbital,EINECS 200-984-3,Leopental (Salt/Mix), Thiopental solution, Trapanal,5-Ethyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione,THIOPENTAL SODIUM,KBio3_002803,thiopental,4,6,(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-,HSDB 7791, Thiomebumal,UNII-JI8Z5M7NA3,Spectrum3_001781,Spectrum2_001998,KBio2_004840,(+/-)Thiopental solution, 1.0 mg/mL in methanol, analytical standard, for drug analysis, (+/-)-THIOPENTAL,Intraval,KBio2_002272,Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-,THIOPENTAL [WHO-DD],(+/-)-THIOPENTAL,DivK1c_000993,Trapanal,Thionembutal,Thiopental ciii,Pentothiobarbital,5-ethyl-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidine-4,6-dione, 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,C07521,KBioGR_001010,Farmotal (Salt/Mix),Tiopentale [Italian], Thiopentobarbitone, Thiopentobarbital, Thiopental [BAN],76-75-5,71-73-8,5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione,BRN 0209361,FT-0603282,DB-056123,Thiopental for system suitability, European Pharmacopoeia (EP) Reference Standard,Spectrum4_000575, Pentothiobarbital,AKOS015901914,Thiopentobarbituric acid,AC-16029,Hypnostan (Salt/Mix), Thiothal, Thiopental (TN),Thiopentone,Thiopental [BAN],Pentothal,Thiopentobarbitone,CHEMBL441, 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid,SPBio_002215, Thiopentone,5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione,Tiopentale,BSPBio_003301,GTPL2579, Sodium Pentothal (TN),Trapanal (Salt/Mix), Tiopentale, (+-)-Thiopental


Estimated data

Solubility: -2.965 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: No (prediction using frontiersin.org)

Addictivity Prediction: 36.8% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.