Details of the Drug

General Information of Drug (ID: DMOB2F3)

Drug Name

Heptabarbital

Synonyms

Cycloheptenylethylmalonylurea; Heptabarb; Heptabarbe; Heptabarbitone; Heptabarbo; Heptabarbum; Heptadorm; Heptamal; Heptamalum; Heptbarbital; Medapan; Medomin; Medomine; Noctyn; Cycloheptenylethylbarbituric acid; G 475; Heptabarbe [INN-French]; Heptabarbo [INN-Spanish]; Heptabarbum [INN-Latin]; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl-(9CI); 5-(1-CYCLOHEPTEN-1-YL)-5-ETHYLBARBITURIC ACID; 5-(1-Cyclohepten-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-(1-Cycloheptenyl)-5-ethylbarbitursaeure; 5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione; 5-Ethyl-5-(1'-cycloheptenyl)-barbituric acid; 5-Ethyl-5-cycloheptenylbarbituric acid

Indication

Disease Entry	ICD 11	Status	REF
Anaesthesia	9A78.6	Approved	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

250.29

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

ADMET Property

Metabolism: The drug is metabolized via the hepatic []

Chemical Identifiers

Formula: C13H18N2O3
IUPAC Name: 5-(cyclohepten-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2
InChI: InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey: PAZQYDJGLKSCSI-UHFFFAOYSA-N