loading...| Preferred Name | secobarbital | |
| Synonyms |
secobarbitone secobarbitalum (+-)-secobarbital 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Seconal 5-allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione quinalbarbitone 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione 5-allyl-5-(1-methylbutyl)barbituric acid secobarbital 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-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 KEGG:D00430 CAS:76-73-3 DrugBank:DB00418 HMDB:HMDB0014562 Drug_Central:2428 Reaxys: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_50268 |
|
| 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 |
secobarbitone secobarbitalum (+-)-secobarbital 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione Seconal 5-allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione quinalbarbitone 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione 5-allyl-5-(1-methylbutyl)barbituric acid secobarbital |
|
| 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 |