Ethacridine lactate monohydrateProduct ingredient for Ethacridine

Name
Ethacridine lactate monohydrate
Drug Entry
Ethacridine
Accession Number
DBSALT002483
Structure
Synonyms
Acrinol lactate monohydrate / Ethacridine lactate / Ethacridine lactate hydrate
UNII
V5IL571C1T
CAS Number
6402-23-9
Weight
Average: 361.398
Monoisotopic: 361.163770853
Chemical Formula
C18H23N3O5
InChI Key
NYEPHMYJRNWPLA-UHFFFAOYSA-N
InChI
InChI=1S/C15H15N3O.C3H6O3.H2O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6;/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);1H2
IUPAC Name
2-hydroxypropanoic acid 7-ethoxy-9-imino-9,10-dihydroacridin-3-amine hydrate
SMILES
O.CC(O)C(O)=O.CCOC1=CC2=C(NC3=C(C=CC(N)=C3)C2=N)C=C1
ChemSpider
145031
ChEMBL
CHEMBL2355915
Predicted Properties
PropertyValueSource
Water Solubility0.192 mg/mLALOGPS
logP2.59ALOGPS
logP2.28Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)18.09Chemaxon
pKa (Strongest Basic)12.12Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area71.13 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity87.45 m3·mol-1Chemaxon
Polarizability28.25 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon