brinzolamide (CHEBI:3176)

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ChEBI Name	brinzolamide

ChEBI ID	CHEBI:3176

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:499968

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Formula

C12H21N3O5S3

Net Charge

Average Mass

383.50700

Monoisotopic Mass

383.06433

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

InChIKey

HCRKCZRJWPKOAR-JTQLQIEISA-N

SMILES

CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O

Roles Classification
Biological Role(s):	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(s):	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	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	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

Last Modified

25 February 2016

General Comment
2009-12-03	Citation has wrong structure for brinzolamide.