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Sezolamide hydrochloride

CAT: 0013-GTR19196510-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196510-01Size:25 mg
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Description
Sezolamide hydrochloride is a small molecule carbonic anhydrase inhibitor for research use. It is applied in topical research models to study intraocular pressure and has utility in both in vitro enzymatic assays and in vivo ophthalmic studies.
CAS Number
119271-78-2
Field of Research
Metabolism Research
Smiles
O=S1 (=O) C2=C ([C@@H] (NCC (C) C) CC1) C=C (S (N) (=O) =O) S2.Cl
Molecular Formula
C11H19ClN2O4S3
Molecular Weight
374.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sezolamide Hydrochloride

See also: Sezolamide (has active moiety).

CAS Number119271-78-2
PubChem CID60692
IUPAC Name(4S)-4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
Molecular FormulaC11H19ClN2O4S3
Molecular Weight374.9
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity547
SMILES
CC(C)CN[C@H]1CCS(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N.Cl
InChI
InChI=1S/C11H18N2O4S3.ClH/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);1H/t9-;/m0./s1
InChIKey
VYZDSLFBCSLIEA-FVGYRXGTSA-N
Chemical Structure
2D Structure
2D structure of Sezolamide Hydrochloride
CAS: 119271-78-2
CID: 60692
Formula: C11H19ClN2O4S3
MW: 374.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass374.0195483
Monoisotopic Mass374.0195483
Topological Polar Surface Area151 Ų
Heavy Atom Count21
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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