Details of the Drug

General Information of Drug (ID: DM214Q8)

Drug Name
Talbutal
Synonyms
Lotusate; Profundol; Talbumalum; Talbutale; Talbutalum; Talbutal [INN]; Talbutale [DCIT]; WIN 5095; Lotusate (TN); Sec-Butyl allylbarbituric acid; Talbutal (INN); Talbutalum [INN-Latin]; 5-(1-Methylpropyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-(1-methylpropyl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione; 5-Allyl-5-(1-methylpropyl) barbituric acid; 5-Allyl-5-sec-butylbarbituric acid; 5-Isobutyl-5-allylbarbituric acid; 5-butan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Indication
Disease Entry ICD 11 Status REF
Irritability MB24 Approved [1]
Therapeutic Class
Hypnotics and Sedatives
Affected Organisms
Humans and other mammals
ATC Code
N05CA07: Talbutal
N05CA: Barbiturates, plain
N05C: HYPNOTICS AND SEDATIVES
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 224.26
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H16N2O3
IUPAC Name
5-butan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Canonical SMILES
CCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
InChIKey
BJVVMKUXKQHWJK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
8275
ChEBI ID
CHEMBL134923
CAS Number
115-44-6
UNII
4YIR8202AX
DrugBank ID
DB00306
TTD ID
D0W0MF
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor gamma-3 (GABRG3) TTEX6LM GBRG3_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 009410.
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.