brinzolamide   Click here for help

GtoPdb Ligand ID: 6797

Synonyms: AL-4862 | Azopt®
Approved drug PDB Ligand
brinzolamide is an approved drug (FDA (1998), EMA (2000))
Compound class: Synthetic organic
Comment: Carbonic anhydrase inhibitor
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 163.8
Molecular weight 383.06
XLogP -1.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COCCCN1CC(NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
Isomeric SMILES COCCCN1C[C@H](NCC)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
InChI Key HCRKCZRJWPKOAR-JTQLQIEISA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1998), EMA (2000))
IUPAC Name Click here for help
(4R)-4-ethylamino-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[4,5-e]thiazine-6-sulfonamide
International Nonproprietary Names Click here for help
INN number INN
7532 brinzolamide
Synonyms Click here for help
AL-4862 | Azopt®
Database Links Click here for help
CAS Registry No. 38890-62-7
ChEBI CHEBI:3176
ChEMBL Ligand CHEMBL220491
DrugBank Ligand DB01194
DrugCentral Ligand 396
GtoPdb PubChem SID 178103403
PubChem CID 68844
RCSB PDB Ligand BZ1
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Wikipedia Brinzolamide