Metabolite Carboxygliclazide
- Name
- Carboxygliclazide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 76FTS44XK2
- CAS number
- Not Available
- Weight
- Average: 353.393
Monoisotopic: 353.104541423 - Chemical Formula
- C15H19N3O5S
- InChI Key
- DSNDPTBTZSQWJS-TXEJJXNPSA-N
- InChI
- InChI=1S/C15H19N3O5S/c19-14(20)10-4-6-13(7-5-10)24(22,23)17-15(21)16-18-8-11-2-1-3-12(11)9-18/h4-7,11-12H,1-3,8-9H2,(H,19,20)(H2,16,17,21)/t11-,12+
- IUPAC Name
- 4-[({[(3aR,6aS)-octahydrocyclopenta[c]pyrrol-2-yl]carbamoyl}amino)sulfonyl]benzoic acid
- SMILES
- [H][C@@]12CCC[C@]1([H])CN(C2)NC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(O)=O
- Reactions
- Gliclazide Methylhydroxygliclazide
- Methylhydroxygliclazide Carboxygliclazide
- Gliclazide Methylhydroxygliclazide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 175.76225 predictedDeepCCS 1.0 (2019) [M+H]+ 178.15794 predictedDeepCCS 1.0 (2019) [M+Na]+ 184.76418 predictedDeepCCS 1.0 (2019) - External Links
- ZINC
- ZINC000077285350
- Predicted Properties
Property Value Source Water Solubility 0.333 mg/mL ALOGPS logP 0.67 ALOGPS logP 0.88 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 3.41 Chemaxon pKa (Strongest Basic) 1.31 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 115.81 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 86.09 m3·mol-1 Chemaxon Polarizability 35.28 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