hexobarbital Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
hypnotics, barbituric acid derivatives 1369 56-29-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • hexobarbital
  • barbidorm
  • hexobarbitone
  • methexenyl
  • methylhexabarbital
  • methylhexabital
A barbiturate that is effective as a hypnotic and sedative.
  • Molecular weight: 236.27
  • Formula: C12H16N2O3
  • CLOGP: 1.63
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 1
  • TPSA: 66.48
  • ALOGS: -2.19
  • ROTB: 1

Drug dosage:

DoseUnitRoute
0.25 g O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 640 mg/mL Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 0.50 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 30.23 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 95 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 1.10 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 3.40 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.53 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 4.90 hours Lombardo F, Berellini G, Obach RS

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1932 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC N01AF02 NERVOUS SYSTEM
ANESTHETICS
ANESTHETICS, GENERAL
Barbiturates, plain
ATC N05CA16 NERVOUS SYSTEM
PSYCHOLEPTICS
HYPNOTICS AND SEDATIVES
Barbiturates, plain
MeSH PA D002491 Central Nervous System Agents
MeSH PA D002492 Central Nervous System Depressants
MeSH PA D018682 GABA Agents
MeSH PA D018757 GABA Modulators
MeSH PA D006993 Hypnotics and Sedatives
MeSH PA D018377 Neurotransmitter Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.09 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
GABA-A receptor alpha-1/beta-3/gamma-2 Ion channel WOMBAT-PK
GABA-A receptor alpha-2/beta-3/gamma-2 Ion channel WOMBAT-PK
GABA-A receptor alpha-3/beta-3/gamma-2 Ion channel WOMBAT-PK
GABA-A receptor alpha-5/beta-3/gamma-2 Ion channel WOMBAT-PK

External reference:

IDSource
4018823 VUID
N0000147126 NUI
D01071 KEGG_DRUG
4018823 VANDF
C0019469 UMLSCUI
CHEBI:5706 CHEBI
CHEMBL7728 ChEMBL_ID
DB01355 DRUGBANK_ID
3608 PUBCHEM_CID
D006591 MESH_DESCRIPTOR_UI
2086 INN_ID
AL8Z8K3P6S UNII
5302 RXNORM
001424 NDDF
423380000 SNOMEDCT_US
81362008 SNOMEDCT_US

Pharmaceutical products:

None