Metabolite Tamsulosin M-4 Metabolite
- Name
- Tamsulosin M-4 Metabolite
- Description
- Not Available
- Structure
Structure for Tamsulosin M-4 Metabolite
- Synonyms
- Not Available
- UNII
- L3ZWN2HON0
- CAS number
- Not Available
- Weight
- Average: 394.49
Monoisotopic: 394.156243119 - Chemical Formula
- C19H26N2O5S
- InChI Key
- UIDNSBDGPKUJHU-CQSZACIVSA-N
- InChI
- InChI=1S/C19H26N2O5S/c1-3-25-17-6-4-5-7-18(17)26-11-10-21-14(2)12-15-8-9-16(22)19(13-15)27(20,23)24/h4-9,13-14,21-22H,3,10-12H2,1-2H3,(H2,20,23,24)/t14-/m1/s1
- IUPAC Name
- 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-hydroxybenzene-1-sulfonamide
- SMILES
- CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(O)C=C1)S(N)(=O)=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 189.63905 predictedDeepCCS 1.0 (2019) [M+H]+ 191.99706 predictedDeepCCS 1.0 (2019) [M+Na]+ 198.89746 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 7976540
- Predicted Properties
Property Value Source Water Solubility 0.036 mg/mL ALOGPS logP 2.72 ALOGPS logP 1.29 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 7.32 Chemaxon pKa (Strongest Basic) 9.58 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 110.88 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 104.38 m3·mol-1 Chemaxon Polarizability 42 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