Metabolite 3-cis-Hydroxyglipizide
- Name
- 3-cis-Hydroxyglipizide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 461.535
Monoisotopic: 461.173289689 - Chemical Formula
- C21H27N5O5S
- InChI Key
- GZLIUWBDTXQVBY-ZYMOGRSISA-N
- InChI
- InChI=1S/C21H27N5O5S/c1-14-12-24-19(13-23-14)20(28)22-10-9-15-5-7-18(8-6-15)32(30,31)26-21(29)25-16-3-2-4-17(27)11-16/h5-8,12-13,16-17,27H,2-4,9-11H2,1H3,(H,22,28)(H2,25,26,29)/t16?,17-/m1/s1
- IUPAC Name
- N-(2-{4-[({[(3R)-3-hydroxycyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-5-methylpyrazine-2-carboxamide
- SMILES
- CC1=CN=C(C=N1)C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC1CCC[C@@H](O)C1
- Reactions
- Glipizide 3-cis-Hydroxyglipizide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 200.38478 predictedDeepCCS 1.0 (2019) [M+H]+ 202.78035 predictedDeepCCS 1.0 (2019) [M+Na]+ 208.70082 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0647 mg/mL ALOGPS logP 0.53 ALOGPS logP -0.033 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 4.32 Chemaxon pKa (Strongest Basic) 0.061 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 150.38 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 117.24 m3·mol-1 Chemaxon Polarizability 48.46 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 Yes Chemaxon