RALURIDINE

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Synonyms
Status
Molecule Category Free-form
UNII 9D65NWY2K0
EPA CompTox DTXSID30152541

Structure

InChI Key WKVDSZYIGHLONN-RRKCRQDMSA-N
Smiles O=c1[nH]c(=O)n([C@H]2C[C@H](F)[C@@H](CO)O2)cc1Cl
InChI
InChI=1S/C9H10ClFN2O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3H2,(H,12,15,16)/t5-,6+,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10ClFN2O4
Molecular Weight 264.64
AlogP -0.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 84.32
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2106991
DrugBank DB12894
FDA SRS 9D65NWY2K0
PubChem 451480
SureChEMBL SCHEMBL419653
ZINC ZINC000001851238
CONTENTS