Dorzolamide
Properties
- Molecular formula
- C10H16N2O4S3
- Molar mass
- 324.43 g/mol
- Exact mass
- 324.0272 Da
- Melting point
- 283–285 °C
- logP
- 0.61Crippen estimate
- Polar surface area
- 106.3 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 3
- Stereocentres
- S, Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation97.4% of notifiers
- H319 Causes serious eye irritation97.4% of notifiers
- H335 May cause respiratory irritation97.4% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
120279-96-1SMILES
CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21InChIKey
IAVUPMFITXYVAF-XPUUQOCRSA-NInChI
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-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-
- 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S-trans)-
- 4S,6S-Dorzolamide
- (4S,6S)-4-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno-[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
Work with Dorzolamide
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
N-[(4S,6S)-2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-4-yl]acetamide147200-03-155 % similar
Brinzolamide138890-62-750 % similar
(4S,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran 7,7-dioxide147086-81-533 % similar
(4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide147128-77-633 % similar
4,5-Dichlorothiophene-2-sulfonamide256353-34-130 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.