SODIUM 2,2-DIMETHYLBUTYRATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XKM99SPB5I

Structure
InChI Key OOPXYEYPPHJHSE-UHFFFAOYSA-M
Smile CCC(C)(C)C(=O)[O-].[Na+]
InChI
InChI=1S/C6H12O2.Na/c1-4-6(2,3)5(7)8;/h4H2,1-3H3,(H,7,8);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11NaO2
Molecular Weight 138.14
AlogP 1.51
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 8.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
beta-Thalassemia 2 D017086 ClinicalTrials
Anemia, Sickle Cell 2 D000755 ClinicalTrials
beta-Thalassemia 2 D017086 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1650317
FDA SRS XKM99SPB5I
PubChem 53247304
SureChEMBL SCHEMBL1176121
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