Brinzolamide Impurity 33

CAT: 1299-RM-B182633-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B182633-01Size:10 mg

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CAS Number

138890-58-1

Synonyms

(R) -4- (ethylamino) -2-methyl-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

Molecular Formula

C9H15N3O4S3

Molecular Weight

325.42

Target Alternative Name

Brinzolamide

Chemical Information

2H-Thieno(3,2-E)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-methyl-, 1,1-dioxide, (4R)-

CAS Number	138890-58-1
PubChem CID	10021513
IUPAC Name	(4R)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Molecular Formula	C9H15N3O4S3
Molecular Weight	325.4
XLogP	-0.5
Topological Polar Surface Area	155
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	536

SMILES

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

InChI

InChI=1S/C9H15N3O4S3/c1-3-11-7-5-12(2)19(15,16)9-6(7)4-8(17-9)18(10,13)14/h4,7,11H,3,5H2,1-2H3,(H2,10,13,14)/t7-/m0/s1

InChIKey

GJDXMGTZKOMXRY-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 138890-58-1

CID: 10021513

Formula: C9H15N3O4S3

MW: 325.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	325.4
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	325.02246949
Monoisotopic Mass	325.02246949
Topological Polar Surface Area	155 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	536
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