VALOPICITABINE DIHYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7KNU786IT4

Structure
InChI Key XENHXZMAOSTXGD-DSMKLBDQSA-N
Smile CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O.Cl.Cl
InChI
InChI=1S/C15H24N4O6.2ClH/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22;;/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22);2*1H/t8-,10+,11-,13-,15-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26Cl2N4O6
Molecular Weight 429.3
AlogP -1.64
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 162.92
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C, Chronic 2 D019698 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1743757
FDA SRS 7KNU786IT4
PubChem 11293303
SureChEMBL SCHEMBL1273017
CONTENTS