Alverine citrateProduct ingredient for Alverine

Name
Alverine citrate
Drug Entry
Alverine

Alverine is a smooth muscle relaxant used to relieve cramps or spasms of the stomach and intestines. It is therefore useful in treating irritable bowel syndrome (IBS) and similar conditions. It can also be used to help relieve period pain.

Accession Number
DBSALT000008
Structure
Thumb
Synonyms
Not Available
UNII
9JFB58YK1E
CAS Number
5560-59-8
Weight
Average: 473.5586
Monoisotopic: 473.241352479
Chemical Formula
C26H35NO7
InChI Key
RYHCACJBKCOBTJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid; ethylbis(3-phenylpropyl)amine
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1
PubChem Compound
21718
ChemSpider
20413
ChEBI
53785
ChEMBL
CHEMBL1408594
Wikipedia
Alverine
Predicted Properties
PropertyValueSource
Water Solubility0.00096 mg/mLALOGPS
logP5.73ALOGPS
logP5.46ChemAxon
logS-5.5ALOGPS
pKa (Strongest Basic)10.44ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area3.24 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity92.67 m3·mol-1ChemAxon
Polarizability35.48 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon