Basic information
- Standard SMILES
CC(C)CN[C@H]1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21- InChIKey
JFLUCCKXAYBETQ-VIFPVBQESA-N- Molecular formula
- C11H18N2O4S3
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.04287006
Overview
decreases intraocular pressure, topically in vivo; inhibits carbonic anhydrase; RN given refers to parent cpd without isomeric designation
Names & identifiers
- Preferred name
- Sezolamide
- IUPAC
- (4S)-4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
- English name
- [S,(+)]-4β-(Isobutylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide·hydrochloride
- Molecular formula
- C11H18N2O4S3
- Molecular weight
- 338.47
Names & synonyms
SEZOLAMIDE123308-22-5sezolamidaFC9C0XB7D4DTXSID30869687MK-927sezolamidumRefChem:182638DTXCID5017798355,6-dihydro-4-(2-methylpropyl)amino-4H-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxideSezolamide [INN]CHEMBL417975
Show more names
MK-417(S)-MK-927(S)-5,6-Dihydro-4β-[(2-methylpropyl)amino]-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide(4S)-5,6-Dihydro-4β-[(2-methylpropyl)amino]-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide(S)-4-(isobutylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide hydrochloride4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 5,6-dihydro-4-[(2-methylpropyl)amino]-, 7,7-dioxide, (4S)-[S,(+)]-4β-(Isobutylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide·hydrochloride
UNII-FC9C0XB7D4(4S)-4-(2-methylpropylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamideSEZOLAMIDE [WHO-DD]SCHEMBL637480JFLUCCKXAYBETQ-VIFPVBQESA-N(S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amideBDBM50041029
Database identifiers
- CAS
123308-22-5- PubChem CID
- 60693
- DTXSID
DTXSID30869687- ChEMBL
CHEMBL417975- UNII
- FC9C0XB7D4
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 547
Experimental & physicochemical properties
LogP-0.03
Physicochemical properties
- Melting point
- 218 · 218-221 °C
- Boiling point
- 580.5 · 580.5±60.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.40(Predicted)
- FDA UNII
- 9 C0XB7D4 · FC9C0XB7D4
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA class of compounds that reduces the secretion of H+ ions by the proximal kidney tubule through inhibition of CARBONIC ANHYDRASES.
Applications
UsesCarbonic anhydrase inhibitor.
Suppliers1 total
山东子易医药有限公司13173053288 · [email protected]
Related reactions
1 records
Linked notes
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