Colesevelam hydrochlorideProduct ingredient for Colesevelam

Name
Colesevelam hydrochloride
Drug Entry
Colesevelam

Colesevelam is a bile acid sequestrant. Colesevelam is used with exercise and diet changes (restriction of cholesterol and fat intake) to reduce the amount of cholesterol and certain fatty substances in the blood. It works by binding bile acids in the intestine. Bile acids are made when cholesterol is broken down in the body. Removing these bile acids helps to lower blood cholesterol.

Accession Number
DBSALT000790
Structure
Thumb
Synonyms
Colesevelam HCl
UNII
P4SG24WI5Q
CAS Number
182815-44-7
Weight
Average: 618.249
Monoisotopic: 616.438045907
Chemical Formula
C31H67Cl3N4O
InChI Key
VTAKZNRDSPNOAU-UHFFFAOYSA-M
InChI
InChI=1S/C13H27N.C12H27N2.C3H5ClO.C3H7N.2ClH/c1-3-5-6-7-8-9-10-11-13-14-12-4-2;1-5-10-13-11-8-6-7-9-12-14(2,3)4;4-1-3-2-5-3;1-2-3-4;;/h4,14H,2-3,5-13H2,1H3;5,13H,1,6-12H2,2-4H3;3H,1-2H2;2H,1,3-4H2;2*1H/q;+1;;;;/p-1
IUPAC Name
2-(chloromethyl)oxirane decyl(prop-2-en-1-yl)amine prop-2-en-1-amine trimethyl({6-[(prop-2-en-1-yl)amino]hexyl})azanium hydrochloride chloride
SMILES
Cl.[Cl-].NCC=C.ClCC1CO1.CCCCCCCCCCNCC=C.C[N+](C)(C)CCCCCCNCC=C
PubChem Compound
160051
ChemSpider
140701
PharmGKB
PA449095
Wikipedia
Colesevelam
Predicted Properties
PropertyValueSource
Water Solubility0.00175 mg/mLALOGPS
logP4.85ALOGPS
logP4.53ChemAxon
logS-5ALOGPS
pKa (Strongest Basic)9.93ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area12.03 Å2ChemAxon
Rotatable Bond Count22ChemAxon
Refractivity65.34 m3·mol-1ChemAxon
Polarizability27.32 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon