Metabolite Tamsulosin M-3-Sul Metabolite
- Name
- Tamsulosin M-3-Sul Metabolite
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 8Y9E3LDI0C
- CAS number
- Not Available
- Weight
- Average: 504.57
Monoisotopic: 504.123622838 - Chemical Formula
- C20H28N2O9S2
- InChI Key
- RFCZBMUTHYYAJV-CQSZACIVSA-N
- InChI
- InChI=1S/C20H28N2O9S2/c1-4-29-17-8-6-16(31-33(25,26)27)13-19(17)30-10-9-22-14(2)11-15-5-7-18(28-3)20(12-15)32(21,23)24/h5-8,12-14,22H,4,9-11H2,1-3H3,(H2,21,23,24)(H,25,26,27)/t14-/m1/s1
- IUPAC Name
- [4-ethoxy-3-(2-{[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino}ethoxy)phenyl]oxidanesulfonic acid
- SMILES
- CCOC1=CC=C(OS(O)(=O)=O)C=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O
- Reactions
- Tamsulosin Tamsulosin M-3 Metabolite
- Tamsulosin M-3 Metabolite Tamsulosin M-3-Glu Metabolite
- Tamsulosin M-3 Metabolite Tamsulosin M-3-Sul Metabolite
- Tamsulosin Tamsulosin M-3 Metabolite
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0252 mg/mL ALOGPS logP 1.1 ALOGPS logP 0.53 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) -2.1 Chemaxon pKa (Strongest Basic) 9.27 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 163.48 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 120.84 m3·mol-1 Chemaxon Polarizability 50.31 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon