Structure

InChI Key HBGOLJKPSFNJSD-UHFFFAOYSA-N
Smile CCNCC.O=S(=O)(O)c1cc(O)ccc1O
InChI
InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17NO5S
Molecular Weight 263.31
AlogP 0.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 94.83
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hemorrhage 4 D006470 ClinicalTrials
Postpartum Hemorrhage 1 D006473 ClinicalTrials

Cross References

Resources Reference
ChEBI 31563
ChEMBL CHEMBL1514715
DrugBank DB13483
EPA CompTox DTXSID4045559
FDA SRS 24YL531VOH
PubChem 17506
SureChEMBL SCHEMBL34303