Metabolite 2-hydroxydesmethyl clomipramine

Name
2-hydroxydesmethyl clomipramine
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
51Z313GI3D
CAS number
Not Available
Weight
Average: 316.825
Monoisotopic: 316.134241011
Chemical Formula
C18H21ClN2O
InChI Key
BTEFPKOBUHDJSN-UHFFFAOYSA-N
InChI
InChI=1S/C18H21ClN2O/c1-20-9-4-10-21-16-6-3-2-5-13(16)7-8-14-11-18(22)15(19)12-17(14)21/h2-3,5-6,11-12,20,22H,4,7-10H2,1H3
IUPAC Name
5-chloro-2-[3-(methylamino)propyl]-2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol
SMILES
CNCCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C(O)=C2
Reactions
External Links
ChemSpider
34985012
Predicted Properties
PropertyValueSource
Water Solubility0.0425 mg/mLALOGPS
logP4.05ALOGPS
logP3.06ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)8.9ChemAxon
pKa (Strongest Basic)10.05ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area35.5 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity92.1 m3·mol-1ChemAxon
Polarizability35.13 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon