TRIHEPTANOIN

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A16AX17
UNII: 2P6O7CFW5K

Structure
InChI Key PJHKBYALYHRYSK-UHFFFAOYSA-N
Smile CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC
InChI
InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H44O6
Molecular Weight 428.61
AlogP 5.9
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 20.0
Polar Surface Area 78.9
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
None Supplement FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ataxia Telangiectasia 2 D001260 ClinicalTrials
Rett Syndrome 2 D015518 ClinicalTrials
Glycogen Storage Disease 2 D006008 ClinicalTrials
Huntington Disease 2 D006816 ClinicalTrials
Hemiplegia 2 D006429 ClinicalTrials
Glycogen Storage Disease Type VII 2 D006014 ClinicalTrials
Amyotrophic Lateral Sclerosis 1 D000690 ClinicalTrials
Migraine Disorders 0 D008881 ClinicalTrials
Glycogen Storage Disease Type I 0 D005953 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 620-67-7
ChEMBL CHEMBL4297585
DrugBank DB11677
EPA CompTox DTXSID40862306
FDA SRS 2P6O7CFW5K
PubChem 69286
SureChEMBL SCHEMBL525618
ZINC ZINC000004521897
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