Metabolite 2-Hydroxymethylropivacaine
- Name
- 2-Hydroxymethylropivacaine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- UIR389WIVW
- CAS number
- Not Available
- Weight
- Average: 290.407
Monoisotopic: 290.199428085 - Chemical Formula
- C17H26N2O2
- InChI Key
- NGTRYFUSTNUYGD-HNNXBMFYSA-N
- InChI
- InChI=1S/C17H26N2O2/c1-3-10-19-11-5-4-9-15(19)17(21)18-16-13(2)7-6-8-14(16)12-20/h6-8,15,20H,3-5,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1
- IUPAC Name
- (2S)-N-[2-(hydroxymethyl)-6-methylphenyl]-1-propylpiperidine-2-carboxamide
- SMILES
- CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1CO
- Reactions
- Ropivacaine 2-Hydroxymethylropivacaine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 172.71553 predictedDeepCCS 1.0 (2019) [M+H]+ 175.07353 predictedDeepCCS 1.0 (2019) [M+Na]+ 181.16669 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 52083820
- Predicted Properties
Property Value Source logP 2.79 Chemaxon pKa (Strongest Acidic) 12.95 Chemaxon pKa (Strongest Basic) 7.73 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 52.57 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 87.37 m3·mol-1 Chemaxon Polarizability 33.45 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