Amiloride hydrochloride dihydrateProduct ingredient for Amiloride

Name
Amiloride hydrochloride dihydrate
Drug Entry
Amiloride

A pyrazine compound inhibiting sodium reabsorption through sodium channels in renal epithelial cells. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with diuretics to spare potassium loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705)

Accession Number
DBSALT000270
Structure
Synonyms
Amiloride hydrochloride dehydrate
UNII
FZJ37245UC
CAS Number
17440-83-4
Weight
Average: 302.119
Monoisotopic: 301.045692731
Chemical Formula
C6H13Cl2N7O3
InChI Key
LTKVFMLMEYCWMK-UHFFFAOYSA-N
InChI
InChI=1S/C6H8ClN7O.ClH.2H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;;/h(H4,8,9,13)(H4,10,11,14,15);1H;2*1H2
IUPAC Name
3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide dihydrate hydrochloride
SMILES
O.O.Cl.NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N
KEGG Drug
D00649
PubChem Compound
68540
ChemSpider
61814
ChEBI
2640
ChEMBL
CHEMBL1398126
Predicted Properties
PropertyValueSource
Water Solubility0.616 mg/mLALOGPS
logP-0.48ALOGPS
logP-0.5Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)11.43Chemaxon
pKa (Strongest Basic)7.35Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area156.79 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity67.18 m3·mol-1Chemaxon
Polarizability20.01 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon