loading...| Preferred Name | methohexital | |
| Synonyms |
Methohexitone Methohexitalum 5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Methohexital 5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid Metohexital 5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione alpha-DL-1-methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid (+-)-5-allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid 1-methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
|
| Definitions |
A barbiturate, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by allyl and 1-methylpent-2-ynyl groups. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_102216 |
|
| alternative term |
Methohexitone Methohexitalum 5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Methohexital 5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid Metohexital 5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione alpha-DL-1-methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid (+-)-5-allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid 1-methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Methohexital Beilstein:89964 PMID:23164727 PMID:23399487 PMID:20045848 PMID:6864729 PMID:22330701 KEGG:C07844 Reaxys:89964 Drug_Central:1748 PMID:13919899 PMID:23422530 PMID:3654008 DrugBank:DB00474 PMID:22914634 PMID:22914630 CAS:151-83-7 KEGG:D04985 PMID:23813116 |
|
| definition |
A barbiturate, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by allyl and 1-methylpent-2-ynyl groups. |
|
| formula |
C14H18N2O3 |
|
| has_alternative_id |
CHEBI:6833 |
|
| has_exact_synonym |
1-methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione Methohexital |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Methohexitone Methohexitalum 5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Methohexital 5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid Metohexital 5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione alpha-DL-1-methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid (+-)-5-allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid |
|
| id |
CHEBI:102216 |
|
| in_subset | ||
| inchi |
InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19) |
|
| inchikey |
NZXKDOXHBHYTKP-UHFFFAOYSA-N |
|
| is_conjugate_acid_of | ||
| label |
methohexital |
|
| mass |
262.30430 |
|
| monoisotopicmass |
262.13174 |
|
| notation |
CHEBI:102216 |
|
| prefLabel |
methohexital |
|
| RO_0000087 | ||
| smiles |
CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O |
|
| subClassOf |