Structure

InChI Key RYXPMWYHEBGTRV-UHFFFAOYSA-N
Smile COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Na+]
InChI
InChI=1S/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18N3NaO3S
Molecular Weight 367.41
AlogP 2.9
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 77.1
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastrointestinal Hemorrhage 3 D006471 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31934
ChEMBL CHEMBL2105294
FDA SRS KV03YZ6QLW
PubChem 10959536