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Dorzolomide hydrochloride

CAT: 0127-OR1028106-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1028106-01Size:100 mg
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CAS Number
130693-82-2
Synonyms
(4S,6S) -4- (ethylamino) -6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide; hydrochloride
Purity
99%
Smiles
CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl

Chemical Information

Dorzolamide Hydrochloride

Dorzolamide Hydrochloride is the hydrochloride salt form of dorzolamide, an inhibitor of carbonic anhydrase, a zinc-containing enzyme that catalyzes the rapid conversion of carbon dioxide and water into carbonic acid, protons and bicarbonate ions. Distributed throughout many cells and tissues, various carbonic anhydrases play important roles in mineral and metabolic homeostasis. (NCI04)

CAS Number130693-82-2
PubChem CID6918132
IUPAC Name(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
Molecular FormulaC10H17ClN2O4S3
Molecular Weight360.9
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity534
SMILES
CCN[C@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl
InChI
InChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1
InChIKey
OSRUSFPMRGDLAG-QMGYSKNISA-N
Chemical Structure
2D Structure
2D structure of Dorzolamide Hydrochloride
CAS: 130693-82-2
CID: 6918132
Formula: C10H17ClN2O4S3
MW: 360.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass360.0038982
Monoisotopic Mass360.0038982
Topological Polar Surface Area151 Ų
Heavy Atom Count20
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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