Brinzolamide Impurity F

CAT: 1299-RM-B182606-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B182606-01Size:10 mg

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CAS Number

404034-55-5

Synonyms

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

Molecular Formula

C10H17N3O5S3

Molecular Weight

355.45

Target Alternative Name

Brinzolamide

Product Name Synonym

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

Chemical Information

N-Desethyl Brinzolamide

CAS Number	404034-55-5
PubChem CID	10021113
IUPAC Name	(4R)-4-amino-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Molecular Formula	C10H17N3O5S3
Molecular Weight	355.5
XLogP	-1.1
Topological Polar Surface Area	178
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	568

SMILES

COCCCN1C[C@@H](C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)N

InChI

InChI=1S/C10H17N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5,8H,2-4,6,11H2,1H3,(H2,12,14,15)/t8-/m0/s1

InChIKey

MVBJPOIMDXIBKC-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 404034-55-5

CID: 10021113

Formula: C10H17N3O5S3

MW: 355.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.5
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	355.03303417
Monoisotopic Mass	355.03303417
Topological Polar Surface Area	178 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	568
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