Metabolite 8-hydroxyclomipramine

Name
8-hydroxyclomipramine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
3DDA2BL4BG
CAS number
Not Available
Weight
Average: 330.852
Monoisotopic: 330.149891075
Chemical Formula
C19H23ClN2O
InChI Key
PVKACZKLKCTAHR-UHFFFAOYSA-N
InChI
InChI=1S/C19H23ClN2O/c1-21(2)10-3-11-22-18-9-8-17(23)12-15(18)5-4-14-6-7-16(20)13-19(14)22/h6-9,12-13,23H,3-5,10-11H2,1-2H3
IUPAC Name
14-chloro-2-[3-(dimethylamino)propyl]-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-6-ol
SMILES
CN(C)CCCN1C2=CC=C(O)C=C2CCC2=CC=C(Cl)C=C12
Reactions
External Links
Human Metabolome Database
HMDB0060802
ChemSpider
9898948
Predicted Properties
PropertyValueSource
Water Solubility0.0975 mg/mLALOGPS
logP4.51ALOGPS
logP4.4ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)10.53ChemAxon
pKa (Strongest Basic)9.18ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.71 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity97.39 m3·mol-1ChemAxon
Polarizability37.03 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon