Basic information
- CAS
120280-13-9- Standard SMILES
CCNC1CC(C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21- InChIKey
IAVUPMFITXYVAF-UHFFFAOYSA-N- Molecular formula
- C10H16N2O4S3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.02722052
Names & identifiers
- Preferred name
- 4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide
- IUPAC
- 4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
- English name
- trans-6-Methyl-4-ethylamino-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
- Molecular formula
- C10H16N2O4S3
- Molecular weight
- 324.44
Names & synonyms
120280-13-9RefChem:10720604H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide601-695-9rac-DorzolamideDORZOLAMIDE BASE4-(ethylamino)-6-methyl-5,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamideCHEMBL2690014-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxideC10H16N2O4S3(4R)-Dorzolamide
Show more names
4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxidetrans-6-methyl-4-ethylamino-5,6-dihydro-4h-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
Dorzolamide impurity B4H-Thieno[2,3-b]thiopyran-2-sulfonamide,4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxideSCHEMBL3306381SCHEMBL7399061DTXSID10274396IAVUPMFITXYVAF-UHFFFAOYSA-NHMS3745I07HMS3868E03
Database identifiers
- CAS
120280-13-9- PubChem CID
- 3154
- DTXSID
DTXSID10274396- ChEMBL
CHEMBL269001- EC Number
- 601-695-9
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 534
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 575.8 · 575.8±60.0 °C(Predicted)
- Density
- 1.53 · 1.53
- solubility
- soluble in DMSO
- pka
- 9.48 · 9.48±0.60(Predicted)
- form
- Solid
- color
- White
Chemistry & industry
Applications
Usesrac-Dorzolamide is an racemic mixture of Dorzolamide, an carbonic anhydrase inhibitor with antiglaucoma properties.
Suppliers8 total
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Related reactions
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Compound notes
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