Metabolite Cyclohexyl hydroxymethyl glimepiride
- Name
- Cyclohexyl hydroxymethyl glimepiride
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 506.615
Monoisotopic: 506.21990553 - Chemical Formula
- C24H34N4O6S
- InChI Key
- YUNQMQLWOOVHKI-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H34N4O6S/c1-3-21-16(2)14-28(22(21)30)24(32)25-13-12-17-6-10-20(11-7-17)35(33,34)27-23(31)26-19-8-4-18(15-29)5-9-19/h6-7,10-11,18-19,29H,3-5,8-9,12-15H2,1-2H3,(H,25,32)(H2,26,27,31)
- IUPAC Name
- 3-ethyl-N-(2-{4-[({[4-(hydroxymethyl)cyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide
- SMILES
- CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(CO)CC2)C1=O
- Reactions
- Glimepiride Cyclohexyl hydroxymethyl glimepiride
- Cyclohexyl hydroxymethyl glimepiride Cyclohexyl carboxyl glimepiride
- Glimepiride Cyclohexyl hydroxymethyl glimepiride
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 233.4626879 predictedDarkChem Lite v0.1.0 [M-H]- 215.80653 predictedDeepCCS 1.0 (2019) [M+H]+ 234.5195879 predictedDarkChem Lite v0.1.0 [M+H]+ 218.2021 predictedDeepCCS 1.0 (2019) [M+Na]+ 234.0956879 predictedDarkChem Lite v0.1.0 [M+Na]+ 224.11462 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 115790
- ZINC
- ZINC000022060680
- Predicted Properties
Property Value Source Water Solubility 0.132 mg/mL ALOGPS logP 1.69 ALOGPS logP 1.76 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 4.32 Chemaxon pKa (Strongest Basic) -1.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 144.91 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 131.66 m3·mol-1 Chemaxon Polarizability 54.7 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon