Tetrahydropalmatine HydrochlorideProduct ingredient for Tetrahydropalmatine

Name
Tetrahydropalmatine Hydrochloride
Drug Entry
Tetrahydropalmatine

Tetrahydropalmatine is under investigation in clinical trial NCT02118610 (Treatment of Schizophrenia With L-tetrahydropalmatine (l-THP): a Novel Dopamine Antagonist With Anti-inflammatory and Antiprotozoal Activity).

Accession Number
DBSALT002133
Structure
Synonyms
Not Available
UNII
RH72T8K75E
CAS Number
4880-82-4
Weight
Average: 391.89
Monoisotopic: 391.155036
Chemical Formula
C21H26ClNO4
InChI Key
MGSZZQQRTPWMEI-LMOVPXPDSA-N
InChI
InChI=1S/C21H25NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,10-11,17H,7-9,12H2,1-4H3;1H/t17-;/m0./s1
IUPAC Name
(12bS)-3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphene hydrochloride
SMILES
Cl.COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(OC)C=C34)CC2=C1OC
ChemSpider
4508543
ChEMBL
CHEMBL1359254
Predicted Properties
PropertyValueSource
Water Solubility0.0246 mg/mLALOGPS
logP3.09ALOGPS
logP3.15Chemaxon
logS-4.2ALOGPS
pKa (Strongest Basic)5.34Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area40.16 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity101.36 m3·mol-1Chemaxon
Polarizability39.41 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon