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Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: M7P27195AG

Structure
InChI Key HNSDLXPSAYFUHK-UHFFFAOYSA-N
Smile CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
InChI
InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H38O7S
Molecular Weight 422.58
AlogP 4.15
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 106.97
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
None Surfactant laxative Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroparesis 2 D018589 ClinicalTrials
Constipation 2 D003248 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 10041-19-7
ChEBI 534
ChEMBL CHEMBL1477036
DrugBank DB11089
DrugCentral 941
EPA CompTox DTXSID1044279
FDA SRS M7P27195AG
Human Metabolome Database HMDB0032386
KEGG C07874
PubChem 11339
SureChEMBL SCHEMBL41958
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