Metabolite Silodosin sulfated metabolite
- Name
- Silodosin sulfated metabolite
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 575.6
Monoisotopic: 575.191306045 - Chemical Formula
- C25H32F3N3O7S
- InChI Key
- QCAYQKKILWESMW-QGZVFWFLSA-N
- InChI
- InChI=1S/C25H32F3N3O7S/c1-17(30-8-12-36-21-5-2-3-6-22(21)37-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-38-39(33,34)35)23(19)20(15-18)24(29)32/h2-3,5-6,14-15,17,30H,4,7-13,16H2,1H3,(H2,29,32)(H,33,34,35)/t17-/m1/s1
- IUPAC Name
- (3-{7-carbamoyl-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indol-1-yl}propoxy)sulfonic acid
- SMILES
- C[C@H](CC1=CC2=C(N(CCCOS(O)(=O)=O)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F
- Reactions
- Silodosin Silodosin sulfated metabolite
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 224.96094 predictedDeepCCS 1.0 (2019) [M+H]+ 227.3565 predictedDeepCCS 1.0 (2019) [M+Na]+ 233.26903 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source logP 1.88 Chemaxon pKa (Strongest Acidic) -1.5 Chemaxon pKa (Strongest Basic) 9.66 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 140.42 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 138.91 m3·mol-1 Chemaxon Polarizability 55.51 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon