Metabolite 2-hydroxyclomipramine

Name
2-hydroxyclomipramine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
DO196516G9
CAS number
Not Available
Weight
Average: 330.852
Monoisotopic: 330.149891075
Chemical Formula
C19H23ClN2O
InChI Key
QXZNSJJZRXNDJQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H23ClN2O/c1-21(2)10-5-11-22-17-7-4-3-6-14(17)8-9-15-12-19(23)16(20)13-18(15)22/h3-4,6-7,12-13,23H,5,8-11H2,1-2H3
IUPAC Name
5-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=CC=C2CCC2=CC(O)=C(Cl)C=C12
Reactions
External Links
Human Metabolome Database
HMDB0060718
ChemSpider
8421597
Predicted Properties
PropertyValueSource
Water Solubility0.114 mg/mLALOGPS
logP4.51ALOGPS
logP3.87ChemAxon
logS-3.5ALOGPS
pKa (Strongest Acidic)8.75ChemAxon
pKa (Strongest Basic)9.39ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area26.71 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity97.39 m3·mol-1ChemAxon
Polarizability36.95 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon