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secobarbital

Properties

Image

Occurences in reactions

MNX_ID

MNXM81739

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₂H₁₈N₂O₃

charge

mass

238.13174

reference

InChIKey

KQPKPCNLIDLUMF-UHFFFAOYSA-N

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)

SMILES

C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9073 chebi:9073	secobarbital (+-)-secobarbital 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione 5-allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-allyl-5-(1-methylbutyl)barbituric acid 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione Seconal quinalbarbitone secobarbitalum secobarbitone
kegg.drug:D00430 keggD:D00430	Secobarbital (USP/INN) Seconal (TN)
hmdb:HMDB0014562	Secobarbital (+-)-Secobarbital (+/-)-secobarbital 5-(1-Methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-Allyl-5-(1-methylbutyl)barbitate 5-Allyl-5-(1-methylbutyl)barbitic acid 5-Allyl-5-(1-methylbutyl)barbituric acid 5-Allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione Flynn brand OF secobarbital sodium Meballymal Quinalbarbitone Ranbaxy brand OF secobarbital sodium Sebar Secobarbital sodium Secobarbitale Secobarbitalum Secobarbitone Seconal Seconal sodium Sodium quinalbarbitone Sodium secobarbital Sodium, secobarbital Vangard brand OF secobarbital sodium secobarbital
CHEBI:60810 chebi:60810	secobarbital (1-) 2,4,6-trioxo-5-(pentan-2-yl)-5-(prop-2-en-1-yl)tetrahydro-2H-pyrimidin-1-ide secobarbital anion
hmdb:HMDB14562 keggD:M_D00430	secondary/obsolete/fantasy identifier