Metabolite Tamsulosin M-1 Metabolite
- Name
- Tamsulosin M-1 Metabolite
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 6F9N0FD3GS
- CAS number
- Not Available
- Weight
- Average: 380.46
Monoisotopic: 380.140593055 - Chemical Formula
- C18H24N2O5S
- InChI Key
- CIJUMNQLYUKWIH-CYBMUJFWSA-N
- InChI
- InChI=1S/C18H24N2O5S/c1-13(20-9-10-25-16-6-4-3-5-15(16)21)11-14-7-8-17(24-2)18(12-14)26(19,22)23/h3-8,12-13,20-21H,9-11H2,1-2H3,(H2,19,22,23)/t13-/m1/s1
- IUPAC Name
- 5-[(2R)-2-{[2-(2-hydroxyphenoxy)ethyl]amino}propyl]-2-methoxybenzene-1-sulfonamide
- SMILES
- COC1=C(C=C(C[C@@H](C)NCCOC2=CC=CC=C2O)C=C1)S(N)(=O)=O
- Reactions
- Tamsulosin Tamsulosin M-1 Metabolite
- Tamsulosin M-1 Metabolite Tamsulosin M-1-Glu Metabolite
- Tamsulosin M-1 Metabolite Tamsulosin M-1-Sul Metabolite
- Tamsulosin Tamsulosin M-1 Metabolite
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 192.12956 predictedDeepCCS 1.0 (2019) [M+H]+ 194.48758 predictedDeepCCS 1.0 (2019) [M+Na]+ 201.28172 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0511 mg/mL ALOGPS logP 1.88 ALOGPS logP 1.31 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 9.73 Chemaxon pKa (Strongest Basic) 9.19 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 9 Chemaxon Refractivity 99.63 m3·mol-1 Chemaxon Polarizability 40.08 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