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Sezolamide hydrochloride

CAT: 0931-T28763-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28763-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119271-78-2
Target
Others, Carbonic Anhydrase
Related Pathways
Metabolism, Others
Bioactivity
Sezolamide hydrochloride is a potent topical carbonic anhydrase inhibitor.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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