TREHALOSE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: B8WCK70T7I

Structure
InChI Key HDTRYLNUVZCQOY-LIZSDCNHSA-N
Smile OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H22O11
Molecular Weight 342.3
AlogP -5.4
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 4.0
Polar Surface Area 189.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bipolar Disorder 3 D001714 ClinicalTrials
Acute Coronary Syndrome 2 D054058 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Muscular Dystrophy, Oculopharyngeal 2 D039141 ClinicalTrials
Machado-Joseph Disease 2 D017827 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 99-20-7
ChEBI 16551
ChEMBL CHEMBL1236395
DrugBank DB12310
EPA CompTox DTXSID3048102
FDA SRS B8WCK70T7I
Human Metabolome Database HMDB0029880
KEGG C01083
PubChem 7427
SureChEMBL SCHEMBL8739
ZINC ZINC000004095531
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