Metabolite N-desethylbrinzolamide
- Name
- N-desethylbrinzolamide
- Description
- Not Available
- Structure
Structure for N-desethylbrinzolamide
- Synonyms
- Not Available
- UNII
- 88WG3B2PNK
- CAS number
- Not Available
- Weight
- Average: 355.44
Monoisotopic: 355.033034181 - Chemical Formula
- C10H17N3O5S3
- InChI Key
- MVBJPOIMDXIBKC-QMMMGPOBSA-N
- InChI
- InChI=1S/C10H17N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5,8H,2-4,6,11H2,1H3,(H2,12,14,15)/t8-/m0/s1
- IUPAC Name
- (4R)-4-amino-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4H-1lambda6-thieno[3,2-e][1,2]thiazine-6-sulfonamide
- SMILES
- COCCCN1C[C@H](N)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 8196686
- BindingDB
- 11392
- ChEMBL
- CHEMBL1340
- ZINC
- ZINC000013558687
- Predicted Properties
Property Value Source logP -1.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 132.79 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 77.68 m3·mol-1 Chemaxon Polarizability 34.1 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon