VERCIRNON SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII 9NQF0M8R0M

Structure

InChI Key RWWYDQSZJIFTES-UHFFFAOYSA-M
Smiles 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

Cross References

Resources Reference
ChEMBL CHEMBL3039505
FDA SRS 9NQF0M8R0M
PubChem 71300757
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