(4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
Basic information
- CAS
1202579-95-0- Standard SMILES
CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21- InChIKey
IAVUPMFITXYVAF-HTRCEHHLSA-N- Molecular formula
- C10H16N2O4S3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.02722052
Names & identifiers
- Preferred name
- (4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
- IUPAC
- (4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
- English name
- 4R,6R-Dorzolamide
- Molecular formula
- C10H16N2O4S3
- Molecular weight
- 324.44
Names & synonyms
(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide(4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide(4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno(2,3-b)thiopyran-2-sulfonamideRefChem:403344112-406-61202579-95-0890-028-7120279-95-0(+)-(Trans)-dorzolamideent-Dorzolamide4R,6R-DORZOLAMIDE
Show more names
Dorzolamide EP Imp ADorzolamide EnantiomerDorzolamide impurity A CRSDorzolamide Hydrochloride EP Impurity A(4R,6R)-4-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide4R,6R)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-Dioxide ((4R,4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4R,6R)-
Dorzolamide impurity ADorzolamide, 4R,6R-120279-89-2(+)-4R,6R-Dorzolamide(4R,6R)-DorzolamideDorzolamide EP Impurity ADorzolamide, (+)-(trans)-UNII-55O5C6I73D
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
Physicochemical properties
- Melting point
- 283 · 283-285 °C
- Boiling point
- 575.8 · 575.8±60.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.48 · 9.48±0.60(Predicted)
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C10H16N2O4S3/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)/t6-,8-/m1/s1
- InChIKey
- IAVUPMFITXYVAF-HTRCEHHLSA-N
- SMILES
- CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
- FDA UNII
- 55 O5C6I73D · 55O5C6I73D
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P263, P264, P270, P301+P317, P318, P319, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
Usesent-Dorzolamide (Dorzolamide EP Impurity A) is an enantiomer of Dorzolamide (D535100), an carbonic anhydrase inhibitor and antiglaucoma agent.
Usesent-Dorzolamide is an enantiomer of Dorzolamide (D535100), an carbonic anhydrase inhibitor and antiglaucoma agent.
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Compound notes
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