Metabolite 7-α-Hydroxygliclazide
- Name
- 7-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
- JMHDCYDSYHLATB-CLLJXQQHSA-N
- InChI
- InChI=1S/C15H21N3O4S/c1-10-2-4-14(5-3-10)23(21,22)17-15(20)16-18-8-11-6-13(19)7-12(11)9-18/h2-5,11-13,19H,6-9H2,1H3,(H2,16,17,20)/t11-,12+,13-
- IUPAC Name
- 3-[(3aR,5S,6aS)-5-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl]-1-(4-methylbenzenesulfonyl)urea
- SMILES
- [H][C@@]12C[C@H](O)C[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C)C=C1
- Reactions
- Gliclazide 7-α-Hydroxygliclazide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 179.37952 predictedDeepCCS 1.0 (2019) [M+H]+ 181.77509 predictedDeepCCS 1.0 (2019) [M+Na]+ 187.6876 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 48061514
- Predicted Properties
Property Value Source Water Solubility 0.524 mg/mL ALOGPS logP 0.34 ALOGPS logP 0.35 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 4.07 Chemaxon pKa (Strongest Basic) 1.02 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 85.55 m3·mol-1 Chemaxon Polarizability 35.02 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