Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7WFB66H4LB

Structure

InChI Key IBVJFULICYLKCE-BDVNFPICSA-N
Smile CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=S)S
InChI
InChI=1S/C8H17NO5S2/c1-9(8(15)16)2-4(11)6(13)7(14)5(12)3-10/h4-7,10-14H,2-3H2,1H3,(H,15,16)/t4-,5+,6+,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17NO5S2
Molecular Weight 271.36
AlogP -2.43
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 104.39
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 16.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypotension 2 D007022 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4301787
EPA CompTox DTXSID80240902
FDA SRS 7WFB66H4LB
PubChem 23692466
SureChEMBL SCHEMBL7744502
ZINC ZINC000001887418
ChEMBL CHEMBL4297472
FDA SRS 3JWCT8LCME
PubChem 23692466
SureChEMBL SCHEMBL7750015