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Sezolamide

CAT: 0013-GTR19208211-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208211-02Size:50 mg
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Description
Sezolamide is a potent and selective carbonic anhydrase inhibitor used in biochemical research. It is applied in vitro to study enzyme kinetics and in vivo models to investigate pathologies related to carbonic anhydrase dysfunction, such as glaucoma and certain tumors.
CAS Number
123291-07-6
Field of Research
Metabolism Research
Smiles
O=S1 (=O) C2=C (C (NCC (C) C) CC1) C=C (S (N) (=O) =O) S2
Molecular Formula
C11H18N2O4S3
Molecular Weight
338.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CAS Number123291-07-6
PubChem CID122147
IUPAC Name4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
Molecular FormulaC11H18N2O4S3
Molecular Weight338.5
XLogP0.9
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity547
SMILES
CC(C)CNC1CCS(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N
InChI
InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)
InChIKey
JFLUCCKXAYBETQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CAS: 123291-07-6
CID: 122147
Formula: C11H18N2O4S3
MW: 338.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.5
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass338.04287058
Monoisotopic Mass338.04287058
Topological Polar Surface Area151 Ų
Heavy Atom Count20
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T71173-01Sezolamide
HY-106331(Rac) -Sezolamide
T28763-01Sezolamide hydrochloride
HY-106332ASezolamide (hydrochloride)
HY-106331A(Rac) -Sezolamide (hydrochloride)

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