Harmaline hydrochlorideProduct ingredient for Harmaline
- Name
- Harmaline hydrochloride
- Drug Entry
- Harmaline
- Accession Number
- DBSALT002558
- Structure
- Synonyms
- Harmaline HCl
- UNII
- 64056X913V
- CAS Number
- 363-11-1
- Weight
- Average: 250.73
Monoisotopic: 250.0872908 - Chemical Formula
- C13H15ClN2O
- InChI Key
- PULNGKOFHCQQQA-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H14N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-4,7,15H,5-6H2,1-2H3;1H
- IUPAC Name
- 7-methoxy-1-methyl-3H,4H,9H-pyrido[3,4-b]indole hydrochloride
- SMILES
- Cl.COC1=CC2=C(C=C1)C1=C(N2)C(C)=NCC1
- External Links
- ChemSpider
- 21006
- ChEMBL
- CHEMBL2165708
- Predicted Properties
Property Value Source Water Solubility 0.0576 mg/mL ALOGPS logP 2.61 ALOGPS logP 1.67 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 14.95 Chemaxon pKa (Strongest Basic) 7.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 37.38 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 64.15 m3·mol-1 Chemaxon Polarizability 24.2 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon