Metabolite Indapamide epoxide intermediate
- Name
- Indapamide epoxide intermediate
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 381.834
Monoisotopic: 381.055004412 - Chemical Formula
- C16H16ClN3O4S
- InChI Key
- ZDRCVKKLZHUQLV-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H16ClN3O4S/c1-8-6-10-12(4-5-13-15(10)24-13)20(8)19-16(21)9-2-3-11(17)14(7-9)25(18,22)23/h2-5,7-8,13,15H,6H2,1H3,(H,19,21)(H2,18,22,23)
- IUPAC Name
- 4-chloro-N-{5-methyl-1aH,4H,5H,6H,6bH-oxireno[2,3-e]indol-4-yl}-3-sulfamoylbenzamide
- SMILES
- CC1CC2=C(C=CC3OC23)N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O
- Reactions
- Indapamide Indapamide epoxide intermediate
- Indapamide epoxide intermediate Indapamide metabolite M6
- Indapamide epoxide intermediate Indapamide glutathione conjugate M7
- Indapamide Indapamide epoxide intermediate
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 182.56264 predictedDeepCCS 1.0 (2019) [M+H]+ 184.92065 predictedDeepCCS 1.0 (2019) [M+Na]+ 191.609 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.149 mg/mL ALOGPS logP 1.3 ALOGPS logP 0.36 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 8.85 Chemaxon pKa (Strongest Basic) 1.13 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 105.03 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 94.84 m3·mol-1 Chemaxon Polarizability 36.86 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon