Metabolite 6-α-Hydroxygliclazide
- Name
- 6-α-Hydroxygliclazide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 339.41
Monoisotopic: 339.125276865 - Chemical Formula
- C15H21N3O4S
- InChI Key
- VUUZEWXIRFGRFE-YUTCNCBUSA-N
- InChI
- InChI=1S/C15H21N3O4S/c1-10-2-5-12(6-3-10)23(21,22)17-15(20)16-18-8-11-4-7-14(19)13(11)9-18/h2-3,5-6,11,13-14,19H,4,7-9H2,1H3,(H2,16,17,20)/t11-,13+,14-/m0/s1
- IUPAC Name
- 3-[(3aS,4S,6aR)-4-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl]-1-(4-methylbenzenesulfonyl)urea
- SMILES
- [H][C@@]12CC[C@H](O)[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1
- Reactions
- Gliclazide 6-α-Hydroxygliclazide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 183.84378 predictedDeepCCS 1.0 (2019) [M+H]+ 186.23935 predictedDeepCCS 1.0 (2019) [M+Na]+ 192.15187 predictedDeepCCS 1.0 (2019) - External Links
- ZINC
- ZINC000095617670
- Predicted Properties
Property Value Source Water Solubility 0.538 mg/mL ALOGPS logP 0.26 ALOGPS logP 0.39 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 4.07 Chemaxon pKa (Strongest Basic) 1.03 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 98.74 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 85.45 m3·mol-1 Chemaxon Polarizability 35.12 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon