acetazolamide   Click here for help

GtoPdb Ligand ID: 6792

Synonyms: Diamox®
Approved drug PDB Ligand
acetazolamide is an approved drug (FDA (1995))
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 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 151.66
Molecular weight 221.99
XLogP -0.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)Nc1nnc(s1)S(=O)(=O)N
Isomeric SMILES CC(=O)Nc1nnc(s1)S(=O)(=O)N
InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
InChI Key BZKPWHYZMXOIDC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
International Nonproprietary Names Click here for help
INN number INN
481 acetazolamide
Synonyms Click here for help
Diamox®
Database Links Click here for help
CAS Registry No. 59-66-5
ChEMBL Ligand CHEMBL20
DrugBank Ligand DB00819
DrugCentral Ligand 56
GtoPdb PubChem SID 178103398
PubChem CID 1986
RCSB PDB Ligand AZM
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SynPHARM 78858 (in complex with carbonic anhydrase 1)
79183 (in complex with carbonic anhydrase 12)
78867 (in complex with carbonic anhydrase 14)
79197 (in complex with carbonic anhydrase 7)
Wikipedia Acetazolamide

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Tocris
Acetazolamide
Cat. No. 6742