Metabolite E-10-Hydroxynortriptyline
- Name
- E-10-Hydroxynortriptyline
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- CD85QI7QOV
- CAS number
- Not Available
- Weight
- Average: 279.3761
Monoisotopic: 279.162314299 - Chemical Formula
- C19H21NO
- InChI Key
- VAGXZGJKNUNLHK-LFIBNONCSA-N
- InChI
- InChI=1S/C19H21NO/c1-20-12-6-11-16-15-8-3-2-7-14(15)13-19(21)18-10-5-4-9-17(16)18/h2-5,7-11,19-21H,6,12-13H2,1H3/b16-11+
- IUPAC Name
- (2E)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
- SMILES
- [H]\C(CCNC)=C1\C2=CC=CC=C2CC(O)C2=CC=CC=C12
- Reactions
- 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
- E-10-Hydroxynortriptyline E-10-Hydroxydesmethylnortriptyline
- E-10-Hydroxydesmethylnortriptyline Oxonortriptyline
- E-10-Hydroxynortriptyline E-10-Hydroxydesmethylnortriptyline
- Amitriptyline E-10-Hydroxyamitriptyline
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 181.0820141 predictedDarkChem Lite v0.1.0 [M-H]- 168.79155 predictedDeepCCS 1.0 (2019) [M+H]+ 181.6400141 predictedDarkChem Lite v0.1.0 [M+H]+ 171.14955 predictedDeepCCS 1.0 (2019) [M+Na]+ 181.3303141 predictedDarkChem Lite v0.1.0 [M+Na]+ 177.24269 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0013889
- ChemSpider
- 4944825
- Predicted Properties
Property Value Source Water Solubility 0.00738 mg/mL ALOGPS logP 3.25 ALOGPS logP 3.2 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 14.26 Chemaxon pKa (Strongest Basic) 10.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 32.26 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 97.73 m3·mol-1 Chemaxon Polarizability 32.56 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon