octanoic acid Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
3998 124-07-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • octanoic acid
  • caprylic acid
  • Molecular weight: 144.21
  • Formula: C8H16O2
  • CLOGP: 2.98
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -2.20
  • ROTB: 6

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:33282 antibacterials
CHEBI has role CHEBI:76971 e.coli metabolites
CHEBI has role CHEBI:77746 h. sapiens metabolites

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.76 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
4030979 VUID
N0000183249 NUI
D05220 KEGG_DRUG
4030979 VANDF
C0054616 UMLSCUI
CHEBI:28837 CHEBI
OCA PDB_CHEM_ID
CHEMBL324846 ChEMBL_ID
DB04519 DRUGBANK_ID
5433 INN_ID
C031492 MESH_SUPPLEMENTAL_RECORD_UI
379 PUBCHEM_CID
4585 IUPHAR_LIGAND_ID
OBL58JN025 UNII
20178 RXNORM
002897 NDDF

Pharmaceutical products:

None