Metabolite Northiaden
- Name
- Northiaden
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Z8W20XLE56
- CAS number
- Not Available
- Weight
- Average: 281.42
Monoisotopic: 281.12382079 - Chemical Formula
- C18H19NS
- InChI Key
- FTELXJYVTOFJAI-MHWRWJLKSA-N
- InChI
- InChI=1S/C18H19NS/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10+
- IUPAC Name
- methyl({3-[(2E)-9-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine
- SMILES
- CNCC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12
- Reactions
- Dosulepin Northiaden
- Northiaden Northiaden S-oxide
- Dosulepin Northiaden
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 164.19023 predictedDeepCCS 1.0 (2019) [M+H]+ 166.54823 predictedDeepCCS 1.0 (2019) [M+Na]+ 172.64139 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 1363695
- ZINC
- ZINC000002040293
- Wikipedia
- Northiaden
- Predicted Properties
Property Value Source Water Solubility 0.00158 mg/mL ALOGPS logP 4.26 ALOGPS logP 4.14 Chemaxon logS -5.2 ALOGPS pKa (Strongest Basic) 10.47 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 12.03 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 99.3 m3·mol-1 Chemaxon Polarizability 32.73 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