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
- External Links
- ChemSpider
- 145031
- ChEMBL
- CHEMBL2355915
- Predicted Properties
Property Value Source Water Solubility 0.192 mg/mL ALOGPS logP 2.59 ALOGPS logP 2.28 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 18.09 Chemaxon pKa (Strongest Basic) 12.12 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 71.13 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 87.45 m3·mol-1 Chemaxon Polarizability 28.25 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon