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Details

Stereochemistry ACHIRAL
Molecular Formula C8H15O2.Na
Molecular Weight 166.1933
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM CAPRYLATE

SMILES

[Na+].CCCCCCCC([O-])=O

InChI

InChIKey=BYKRNSHANADUFY-UHFFFAOYSA-M
InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H15O2
Molecular Weight 143.2035
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

OCTANOIC ACID (Caprylic acid) eight-carbon saturated fatty acid belongs to the class of mediumchain saturated fatty acids. OCTANOIC ACID found naturally in the milk of various mammals, and as a minor constituent of coconut oil and palm kernel oil. Caprylic acid is used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Caprylic acid is an antimicrobial pesticide used as a food contact surface sanitizer in commercial food handling establishments on dairy equipment, food processing equipment, breweries, wineries, and beverage processing plants. It is also used as disinfectant in health care facilities, schools/colleges, animal care/veterinary facilities, industrial facilities, office buildings, recreational facilities, retail and wholesale establishments, livestock premises, restaurants, and hotels/motels. In addition, caprylic acid is used as an algaecide, bactericide, and fungicide in nurseries, greenhouses, garden centers, and interiorscapes on ornamentals. Products containing caprylic acid are formulated as soluble concentrate/liquids and ready-to-use liquids.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
5.41 µM [Ki]
8.6 µM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
4500 μg/mL
150 mg/kg single, intravenous
OCTANOIC ACID plasma
Rattus norvegicus

AUC

ValueDoseCo-administeredAnalytePopulation
387.6 μg × h/mL
150 mg/kg single, intravenous
OCTANOIC ACID plasma
Rattus norvegicus

T1/2

ValueDoseCo-administeredAnalytePopulation
5 min
150 mg/kg single, intravenous
OCTANOIC ACID plasma
Rattus norvegicus

PubMed

Sample Use Guides

In Vivo Use Guide
In pilot study of octanoic acid in Essential Tremor. Octanoic acidand placebo administered as oral single morning doses 4 mg/kg
Route of Administration: Oral
In Vitro Use Guide
S2 hOAT1 and S2 hOAT3 were obtained by transfecting S2 cells (derived from transgenic mice harboring the temperature-sensitive simian virus 40 large T-antigen gene) with pcDNA3.1-hOAT1, pcDNA3.1-hOAT3. The S2 cells were seeded in 24-well tissue culture plates at a cell density of 1 3 105 cells/well. After the cells were cultured for two days, the cells were washed three times with Dulbecco’s modified phosphate-buffered saline (D-PBS) solution (containing in mM: 137 NaCl, 3 KCl, 8 NaHPO4, 1 KH2PO4, 1 CaCl2 and 0.5 MgCl2; pH 7.4) containing 5 mM D-glucose, and then preincubated with the same solution for 10 min in a water bath at 370C. To evaluate the inhibitory effects of several substrates for an OAT on OTA uptake, S2 hOAT1 or S2 hOAT3 were incubated for 2 min in D-PBS containing 1 mM [3H]-OTA in the absence or presence of OCTANOIC ACID (0.2 mM).
Substance Class Chemical
Record UNII
9XTM81VK2B
Record Status Validated (UNII)
Record Version