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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Id | http://purl.obolibrary.org/obo/CHEBI_9073
http://purl.obolibrary.org/obo/CHEBI_9073
|
|---|---|
| Preferred Name | Secobarbital |
| 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.
|
| Synonyms |
5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
5-allyl-5-(1-methylbutyl)barbituric acid
(+-)-secobarbital
quinalbarbitone
secobarbitone
5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
secobarbitalum
secobarbital
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
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|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
secobarbital
Secobarbital
|
|---|---|
| prefLabel |
Secobarbital
|
| database_cross_reference |
Gmelin:283703
DrugBank:DB00418
Drug_Central:2428
Wikipedia:Secobarbital
Reaxys:225330
CAS:76-73-3
Beilstein:225330
HMDB:HMDB0014562
KEGG:D00430
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|
| notation |
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)
|
| has_related_synonym |
5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
5-allyl-5-(1-methylbutyl)barbituric acid
(+-)-secobarbital
quinalbarbitone
secobarbitone
5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
secobarbitalum
secobarbital
5-allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Seconal
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|
| id |
CHEBI:9073
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| prefixIRI |
CHEBI:9073
|
| textual 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
|
| subClassOf | |
| inchikey |
KQPKPCNLIDLUMF-UHFFFAOYSA-N
|
| mass |
238.28300
|
| monoisotopicmass |
238.13174
|
| has functional parent | |
| type | |
| smiles |
CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O
|
| has_RxCUI |
9624
|
| has role | |
| has_exact_synonym |
5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione
secobarbital
|
| bearer_of | |
| alternative term |
5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
5-allyl-5-(1-methylbutyl)barbituric acid
(+-)-secobarbital
quinalbarbitone
secobarbitone
5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
secobarbitalum
secobarbital
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
See more
See less
|
| is conjugate acid of |
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