Metabolite Tamsulosin AM-1 Metabolite
- Name
- Tamsulosin AM-1 Metabolite
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Q6S7J0Y8RB
- CAS number
- Not Available
- Weight
- Average: 196.202
Monoisotopic: 196.073558866 - Chemical Formula
- C10H12O4
- InChI Key
- MZQTVOLNWAPPBT-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H12O4/c1-2-13-8-5-3-4-6-9(8)14-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
- IUPAC Name
- 2-(2-ethoxyphenoxy)acetic acid
- SMILES
- CCOC1=CC=CC=C1OCC(O)=O
- Reactions
- Tamsulosin Tamsulosin AM-1 Metabolite
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 151.1174866 predictedDarkChem Lite v0.1.0 [M-H]- 134.9413 predictedDeepCCS 1.0 (2019) [M+H]+ 149.9024866 predictedDarkChem Lite v0.1.0 [M+H]+ 138.76976 predictedDeepCCS 1.0 (2019) [M+Na]+ 151.3769866 predictedDarkChem Lite v0.1.0 [M+Na]+ 147.64128 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 312119
- ChEMBL
- CHEMBL1461754
- ZINC
- ZINC000000080659
- Predicted Properties
Property Value Source Water Solubility 0.943 mg/mL ALOGPS logP 1.76 ALOGPS logP 1.49 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 3.56 Chemaxon pKa (Strongest Basic) -4.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.76 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 49.82 m3·mol-1 Chemaxon Polarizability 19.82 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