Metabolite Nor-levomethadyl acetate (nor-LAAM)
- Name
- Nor-levomethadyl acetate (nor-LAAM)
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Y4G2SI35XZ
- CAS number
- Not Available
- Weight
- Average: 339.4712
Monoisotopic: 339.219829177 - Chemical Formula
- C22H29NO2
- InChI Key
- VWCUGCYZZGRKEE-UWJYYQICSA-N
- InChI
- InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3/t17-,21-/m0/s1
- IUPAC Name
- (3S,6S)-6-(methylamino)-4,4-diphenylheptan-3-yl acetate
- SMILES
- CC[C@H](OC(C)=O)C(C[C@H](C)NC)(C1=CC=CC=C1)C1=CC=CC=C1
- Reactions
- Levacetylmethadol Nor-levomethadyl acetate (nor-LAAM)
- Nor-levomethadyl acetate (nor-LAAM) Dinor-levomethadyl acetate
- Levacetylmethadol Nor-levomethadyl acetate (nor-LAAM)
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 181.35408 predictedDeepCCS 1.0 (2019) [M+H]+ 183.71208 predictedDeepCCS 1.0 (2019) [M+Na]+ 190.63766 predictedDeepCCS 1.0 (2019) - External Links
- KEGG Compound
- C16661
- ChemSpider
- 119159
- ChEBI
- 80647
- ZINC
- ZINC000002575722
- Predicted Properties
Property Value Source Water Solubility 0.000713 mg/mL ALOGPS logP 4.85 ALOGPS logP 4.5 Chemaxon logS -5.7 ALOGPS pKa (Strongest Basic) 10.34 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 38.33 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 112.56 m3·mol-1 Chemaxon Polarizability 38.72 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon