PINAVERIUM BROMIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Salt
UNII: 7SCF54H12J
Parent Compound: PINAVERIUM

Structure
InChI Key IKGXLCMLVINENI-UHFFFAOYSA-M
Smile COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC.[Br-]
InChI
InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H41Br2NO4
Molecular Weight 591.43
AlogP 5.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 36.92
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Reference
Postcholecystectomy Syndrome; Sphincter of Oddi Dysfunction Phase 4 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL1909298
EPA CompTox DTXSID2048614
FDA SRS 7SCF54H12J
PubChem 40703
SureChEMBL SCHEMBL25474
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