Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PSA33KO9WA

Structure

InChI Key BISPBXFUKNXOQY-RITPCOANSA-N
Smile CC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)O)[C@@H]1C(N)=O
InChI
InChI=1S/C8H11N3O6S/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16)/t5-,6+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N3O6S
Molecular Weight 277.26
AlogP -1.36
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 130.24
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL4298137
FDA SRS PSA33KO9WA
PubChem 89851852
SureChEMBL SCHEMBL15319894
ZINC ZINC000220881117