Name: O-Desmethyl Brinzolamide hydrochloride
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HIT ID:HIT218686704
Cas No:2967475-56-3
Common Name:O-Desmethyl Brinzolamide hydrochloride
Common Name:O-Desmethyl Brinzolamide hydrochloride
IUPAC:(4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-2H,3H,4H-1lambda6-thieno[3,2-e][1,2]thiazine-6-sulfonamide hydrochloride
IUPAC:(4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-2H,3H,4H-1lambda6-thieno[3,2-e][1,2]thiazine-6-sulfonamide hydrochloride
InChIKey:JSDPAUKMZWABRY-FVGYRXGTSA-N

Molecular Formula:C11H20ClN3O5S3
Molecular Weight:405.93
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:Cl.CCN[C@H]1CN(CCCO)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
SMILES:Cl.CCN[C@H]1CN(CCCO)S(=O)(=O)c2sc(cc12)S(N)(=O)=O

O-Desmethyl Brinzolamide hydrochloride (compound 6a), a potent metabolite derived from Brinzolamide, serves as a carbonic anhydrase (CA) inhibitor. It exhibits a dissociation constant (Kd) of 0.136 nM for CA II and an inhibitory concentration (IC₅₀) of 165 nM for CA IV ^[1].

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