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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | thiopental | |
| Synonyms |
Thiopentobarbituric acid Penthiobarbital Thiopentobarbitone (+-)-thiopental 2-Thio-5-ethyl-5-sec-pentylbarbituric acid Pentothiobarbital 5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione Thiopentobarbital Thiopentone Thiopental 5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione |
|
| Definitions |
A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_102166 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:10666006 PMID:23422796 CAS:76-75-5 PMID:16897573 PMID:16166909 PMID:20488867 PMID:10841799 PMID:23490495 PMID:3654008 Beilstein:209361 PMID:23644730 PMID:23542731 PMID:15857133 Drug_Central:2633 Reaxys:209361 PMID:9171876 DrugBank:DB00599 KEGG:C07521 PMID:23879844 PMID:18484074 PMID:23305916 PMID:2215478 PMID:9699097 PMID:6864729
|
|
| definition |
A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.
|
|
| formula |
C11H18N2O2S
|
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_38877 http://purl.obolibrary.org/obo/CHEBI_35717 http://purl.obolibrary.org/obo/CHEBI_88188 |
|
| has_alternative_id |
CHEBI:9560
|
|
| has_exact_synonym |
Thiopental 5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Thiopentobarbituric acid Penthiobarbital Thiopentobarbitone (+-)-thiopental 2-Thio-5-ethyl-5-sec-pentylbarbituric acid Pentothiobarbital 5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione Thiopentobarbital Thiopentone
|
|
| id |
CHEBI:102166
|
|
| in_subset | ||
| 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)
|
|
| inchikey |
IUJDSEJGGMCXSG-UHFFFAOYSA-N
|
|
| is conjugate acid of | ||
| label |
thiopental
|
|
| mass |
242.33800
|
|
| monoisotopicmass |
242.10890
|
|
| notation |
CHEBI:102166
|
|
| prefLabel |
thiopental
|
|
| smiles |
CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
|
|
| treeView | ||
| subClassOf |
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