AZELOPRAZOLE SODIUM

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KDJ60607ON

Structure
InChI Key HXDOUUHARCBYLF-VNUFCWELSA-N
Smile Cc1cnc(C[S@@+]([O-])c2nc3ccccc3[n-]2)c(C)c1OCC1COC(C)(C)OC1.[Na+]
InChI
InChI=1S/C22H26N3O4S.Na/c1-14-9-23-19(13-30(26)21-24-17-7-5-6-8-18(17)25-21)15(2)20(14)27-10-16-11-28-22(3,4)29-12-16;/h5-9,16H,10-13H2,1-4H3;/q-1;+1/t30-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26N3NaO4S
Molecular Weight 451.52
AlogP 3.66
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 86.33
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroesophageal Reflux 1 D005764 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297375
FDA SRS KDJ60607ON
PubChem 23680578
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