Metabolite noralfentanil
- Name
- noralfentanil
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- IO6G3L550Q
- CAS number
- Not Available
- Weight
- Average: 276.374
Monoisotopic: 276.183778022 - Chemical Formula
- C16H24N2O2
- InChI Key
- ULOZGJWEIWAWML-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H24N2O2/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h4-8,17H,3,9-13H2,1-2H3
- IUPAC Name
- N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
- SMILES
- CCC(=O)N(C1=CC=CC=C1)C1(COC)CCNCC1
- Reactions
- Alfentanil noralfentanil
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 174.4301057 predictedDarkChem Lite v0.1.0 [M-H]- 173.9061057 predictedDarkChem Lite v0.1.0 [M-H]- 162.27654 predictedDeepCCS 1.0 (2019) [M+H]+ 174.9172057 predictedDarkChem Lite v0.1.0 [M+H]+ 174.1295057 predictedDarkChem Lite v0.1.0 [M+H]+ 164.63454 predictedDeepCCS 1.0 (2019) [M+Na]+ 174.2993057 predictedDarkChem Lite v0.1.0 [M+Na]+ 173.9004057 predictedDarkChem Lite v0.1.0 [M+Na]+ 170.72768 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0061010
- ChemSpider
- 142419
- ChEBI
- 174649
- ZINC
- ZINC000005768112
- Predicted Properties
Property Value Source Water Solubility 1.63 mg/mL ALOGPS logP 1.42 ALOGPS logP 1.3 Chemaxon logS -2.2 ALOGPS pKa (Strongest Basic) 10 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 41.57 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 79.75 m3·mol-1 Chemaxon Polarizability 30.99 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon