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CHEBI:3176 - brinzolamide

ChEBI IDCHEBI:3176
ChEBI Namebrinzolamide
Stars
Secondary ChEBI IDCHEBI:499968
Last Modified25 February 2016
DownloadsMolfile
FormulaC12H21N3O5S3
Net Charge0
Average Mass383.517
Monoisotopic Mass383.06433
SMILESCCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=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
InChIKeyHCRKCZRJWPKOAR-JTQLQIEISA-N
Wikipedia
Roles Classification
Biological Role:
EC 4.2.1.1 (carbonic anhydrase) inhibitor  An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H+ ions by the proximal kidney tubule.
Application:
antiglaucoma drug  Any drug which can be used to prevent or alleviate glaucoma, a disease in which the optic nerve is damaged, resulting in progressive, irreversible loss of vision. It is often, though not always, associated with increased pressure of the fluid in the eye.
ChEBI Ontology
Outgoing Relation(s)
brinzolamide (CHEBI:3176) has role antiglaucoma drug (CHEBI:39456)
brinzolamide (CHEBI:3176) has role EC 4.2.1.1 (carbonic anhydrase) inhibitor (CHEBI:23018)
brinzolamide (CHEBI:3176) is a sulfonamide (CHEBI:35358)
brinzolamide (CHEBI:3176) is a thienothiazine (CHEBI:46977)
Incoming Relation(s)
3,4-didehydro-N4-deethylbrinzolamide (CHEBI:43411) has functional parent brinzolamide (CHEBI:3176)
IUPAC Name 
(4R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
Synonyms  Source
BrinzolamideKEGG COMPOUND
AzoptKEGG DRUG
Manual XrefsDatabases
C07760KEGG COMPOUND
D00652KEGG DRUG
BrinzolamideWikipedia
DB01194DrugBank
BZ1PDBeChem
LSM-3677LINCS
Registry NumbersSources
Beilstein:9651552Beilstein
CAS:138890-62-7KEGG COMPOUND
CAS:138890-62-7ChemIDplus