Metabolite desglymidodrine
- Name
- desglymidodrine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- S57K35I2FV
- CAS number
- Not Available
- Weight
- Average: 197.231
Monoisotopic: 197.105193351 - Chemical Formula
- C10H15NO3
- InChI Key
- VFRCNXKYZVQYLX-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
- IUPAC Name
- 2-amino-1-(2,5-dimethoxyphenyl)ethan-1-ol
- SMILES
- COC1=CC(C(O)CN)=C(OC)C=C1
- Reactions
- Midodrine desglymidodrine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 152.2994202 predictedDarkChem Lite v0.1.0 [M-H]- 140.1805 predictedDeepCCS 1.0 (2019) [M+H]+ 152.4602202 predictedDarkChem Lite v0.1.0 [M+H]+ 142.95236 predictedDeepCCS 1.0 (2019) [M+Na]+ 152.2023202 predictedDarkChem Lite v0.1.0 [M+Na]+ 151.76433 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0060558
- ChemSpider
- 39427
- BindingDB
- 50118702
- ChEBI
- 73248
- ChEMBL
- CHEMBL1076
- Predicted Properties
Property Value Source Water Solubility 10.9 mg/mL ALOGPS logP -0.01 ALOGPS logP 0.15 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 13.82 Chemaxon pKa (Strongest Basic) 9.04 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 64.71 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 53.42 m3·mol-1 Chemaxon Polarizability 20.71 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon