Metabolite Cyclohexyl carboxyl glimepiride
- Name
- Cyclohexyl carboxyl glimepiride
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 520.598
Monoisotopic: 520.199170088 - Chemical Formula
- C24H32N4O7S
- InChI Key
- MMZLACCSCMGVHL-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H32N4O7S/c1-3-20-15(2)14-28(21(20)29)24(33)25-13-12-16-4-10-19(11-5-16)36(34,35)27-23(32)26-18-8-6-17(7-9-18)22(30)31/h4-5,10-11,17-18H,3,6-9,12-14H2,1-2H3,(H,25,33)(H,30,31)(H2,26,27,32)
- IUPAC Name
- 4-{[(4-{2-[(3-ethyl-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carbonyl)amino]ethyl}benzenesulfonyl)carbamoyl]amino}cyclohexane-1-carboxylic acid
- SMILES
- CCC1=C(C)CN(C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC2CCC(CC2)C(O)=O)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]- 224.7842965 predictedDarkChem Lite v0.1.0 [M-H]- 209.56883 predictedDeepCCS 1.0 (2019) [M+H]+ 224.6114965 predictedDarkChem Lite v0.1.0 [M+H]+ 211.9644 predictedDeepCCS 1.0 (2019) [M+Na]+ 224.5970965 predictedDarkChem Lite v0.1.0 [M+Na]+ 217.87692 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 8250904
- Predicted Properties
Property Value Source Water Solubility 0.122 mg/mL ALOGPS logP 1.16 ALOGPS logP 2.06 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 3.51 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 161.98 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 131.5 m3·mol-1 Chemaxon Polarizability 54.95 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