VERCIRNON SODIUM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9NQF0M8R0M

Structure
InChI Key RWWYDQSZJIFTES-UHFFFAOYSA-M
Smile CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1.[Na+]
InChI
InChI=1S/C22H21ClN2O4S.Na/c1-22(2,3)16-4-7-18(8-5-16)30(28,29)24-20-9-6-17(23)14-19(20)21(26)15-10-12-25(27)13-11-15;/h4-14H,1-3H3,(H,24,26);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H20ClN2NaO4S
Molecular Weight 466.92
AlogP 4.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 90.18
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Crohn Disease 3 D003424 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3039505
FDA SRS 9NQF0M8R0M
PubChem 71300757
CONTENTS