Brinzolamide 100mg

CAT: 0628-A11765-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A11765-100Size:100 mg

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CAS Number

138890-62-7

Chemical Information

Brinzolamide

Brinzolamide is a sulfonamide and a thienothiazine. It has a role as an EC 4.2.1.1 (carbonic anhydrase) inhibitor and an antiglaucoma drug.

CAS Number	138890-62-7
PubChem CID	68844
IUPAC Name	(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Molecular Formula	C12H21N3O5S3
Molecular Weight	383.5
XLogP	-0.3
Topological Polar Surface Area	164
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	598

SMILES

CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC

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

Chemical Structure

2D Structure

CAS: 138890-62-7

CID: 68844

Formula: C12H21N3O5S3

MW: 383.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.5
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	383.06433430
Monoisotopic Mass	383.06433430
Topological Polar Surface Area	164 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	598
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
263603-01	Brinzolamide