FLAVOXATE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1970)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 9C05J6089W
Parent Compound: FLAVOXATE

Structure
InChI Key XOEVKNFZUQEERE-UHFFFAOYSA-N
Smile Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl
InChI
InChI=1S/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26ClNO4
Molecular Weight 427.93
AlogP 4.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 59.75
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 4 inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
27.27
General disorders and administration site conditions
18.18
Nervous system disorders
18.18
Psychiatric disorders
18.18
Musculoskeletal and connective tissue disorders
9.09
Renal and urinary disorders
9.09

Cross References

Resources Reference
ChEBI 5089
ChEMBL CHEMBL1200875
EPA CompTox DTXSID1047784
FDA SRS 9C05J6089W
PubChem 441345
SureChEMBL SCHEMBL124540
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