Metabolite E-10-Hydroxydesmethylnortriptyline
- Name
- E-10-Hydroxydesmethylnortriptyline
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 265.3496
Monoisotopic: 265.146664235 - Chemical Formula
- C18H19NO
- InChI Key
- PIEVJGJKDMQGSG-XNTDXEJSSA-N
- InChI
- InChI=1S/C18H19NO/c19-11-5-10-15-14-7-2-1-6-13(14)12-18(20)17-9-4-3-8-16(15)17/h1-4,6-10,18,20H,5,11-12,19H2/b15-10+
- IUPAC Name
- (2E)-2-(3-aminopropylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
- SMILES
- [H]\C(CCN)=C1\C2=CC=CC=C2CC(O)C2=CC=CC=C12
- Reactions
- Nortriptyline Desmethylnortriptyline
- E-10-Hydroxynortriptyline E-10-Hydroxydesmethylnortriptyline
- E-10-Hydroxydesmethylnortriptyline Oxonortriptyline
- E-10-Hydroxynortriptyline E-10-Hydroxydesmethylnortriptyline
- Amitriptyline E-10-Hydroxyamitriptyline
- E-10-Hydroxyamitriptyline E-10-Hydroxynortriptyline
- E-10-Hydroxynortriptyline E-10-Hydroxydesmethylnortriptyline
- E-10-Hydroxyamitriptyline E-10-Hydroxynortriptyline
- Amitriptyline Nortriptyline
- Nortriptyline E-10-Hydroxynortriptyline
- Nortriptyline Desmethylnortriptyline
- Desmethylnortriptyline E-10-Hydroxydesmethylnortriptyline
- Nortriptyline Desmethylnortriptyline
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 174.5660711 predictedDarkChem Lite v0.1.0 [M-H]- 165.22221 predictedDeepCCS 1.0 (2019) [M+H]+ 175.3407711 predictedDarkChem Lite v0.1.0 [M+H]+ 167.58022 predictedDeepCCS 1.0 (2019) [M+Na]+ 174.7086711 predictedDarkChem Lite v0.1.0 [M+Na]+ 173.67336 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0014257
- ChemSpider
- 5005861
- Predicted Properties
Property Value Source Water Solubility 0.0161 mg/mL ALOGPS logP 2.88 ALOGPS logP 2.76 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 14.26 Chemaxon pKa (Strongest Basic) 10.17 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 46.25 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 92.95 m3·mol-1 Chemaxon Polarizability 30.37 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon