VALNIVUDINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L4N5F436FO

Structure
InChI Key CAHTYTZOAVUCIU-ZMQZINMSSA-N
Smile CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](N)C(C)C)O4)c(=O)nc3o2)cc1.Cl
InChI
InChI=1S/C27H35N3O6.ClH/c1-4-5-6-7-17-8-10-18(11-9-17)21-12-19-14-30(27(33)29-25(19)36-21)23-13-20(31)22(35-23)15-34-26(32)24(28)16(2)3;/h8-12,14,16,20,22-24,31H,4-7,13,15,28H2,1-3H3;1H/t20-,22+,23+,24-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H36ClN3O6
Molecular Weight 534.05
AlogP 3.56
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 129.81
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Herpes Zoster 2 D006562 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297380
EPA CompTox DTXSID40241910
FDA SRS L4N5F436FO
PubChem 71587897
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