loading...| Preferred Name |
secobarbital |
| Synonyms |
5-allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Seconal 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione quinalbarbitone 5-allyl-5-(1-methylbutyl)barbituric acid 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione secobarbital secobarbitalum (+-)-secobarbital secobarbitone 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione |
| Definitions |
A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_9073 |
| charge |
0 |
| database_cross_reference |
Wikipedia:Secobarbital Drug_Central:2428 HMDB:HMDB0014562 DrugBank:DB00418 Reaxys:225330 KEGG:D00430 CAS:76-73-3 Beilstein:225330 Gmelin:283703 |
| definition |
A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups. |
| formula |
C12H18N2O3 |
| has functional parent | |
| has role |
http://purl.obolibrary.org/obo/CHEBI_60807 |
| has_exact_synonym |
5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione secobarbital |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
5-allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Seconal quinalbarbitone 5-allyl-5-(1-methylbutyl)barbituric acid 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione secobarbital secobarbitalum (+-)-secobarbital secobarbitone 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione |
| id |
CHEBI:9073 |
| in_subset | |
| inchi |
InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17) |
| inchikey |
KQPKPCNLIDLUMF-UHFFFAOYSA-N |
| is conjugate acid of | |
| label |
secobarbital |
| mass |
238.28300 |
| monoisotopicmass |
238.13174 |
| notation |
CHEBI:9073 |
| prefLabel |
secobarbital |
| smiles |
CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O |
| treeView | |
| subClassOf |