Metabolite 4-trans-OH-glipizide
- Name
- 4-trans-OH-glipizide
- Description
- Not Available
- Structure
Structure for 4-trans-OH-glipizide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 461.54
Monoisotopic: 461.173290163 - Chemical Formula
- C21H27N5O5S
- InChI Key
- WPQWQJBFAJEUHS-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H27N5O5S/c1-14-12-24-19(13-23-14)20(28)22-11-10-15-2-8-18(9-3-15)32(30,31)26-21(29)25-16-4-6-17(27)7-5-16/h2-3,8-9,12-13,16-17,27H,4-7,10-11H2,1H3,(H,22,28)(H2,25,26,29)
- IUPAC Name
- N-{2-[4-({[(4-hydroxycyclohexyl)carbamoyl]amino}sulfonyl)phenyl]ethyl}-5-methylpyrazine-2-carboxamide
- SMILES
- [H]N(C(=O)C1=NC([H])=C(N=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C(=O)N([H])C1([H])C([H])([H])C([H])([H])C([H])(O)C([H])([H])C1([H])[H]
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 196.15385 predictedDeepCCS 1.0 (2019) [M+H]+ 197.87758 predictedDeepCCS 1.0 (2019) [M+Na]+ 204.77115 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0812 mg/mL ALOGPS logP 0.55 ALOGPS logP 0.04 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 117.29 m3·mol-1 Chemaxon Polarizability 47.79 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