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
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
CHEBI:134923
CAS Number
115-44-6
DrugBank ID
DB00306
TTD ID
D0W0MF

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.