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CHEBI:4702 - dorzolamide

ChEBI IDCHEBI:4702
ChEBI Namedorzolamide
Stars
Definition5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.
Secondary ChEBI IDsCHEBI:42295, CHEBI:101089, CHEBI:105798
Last Modified22 February 2017
DownloadsMolfile

FormulaC10H16N2O4S3
Net Charge0
Average Mass324.449
Monoisotopic Mass324.02722
SMILESCCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=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/s1
InChIKeyIAVUPMFITXYVAF-XPUUQOCRSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
(4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
INN  Source
dorzolamideChemIDplus
Synonyms  Source
DorzolamideKEGG COMPOUND
(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDEPDBeChem
4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amideChEMBL
4-ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda6-thieno[2,3-b]thiopyran-2-sulfonic acid amideChEMBL
(4S,6S)-4-ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amideChEMBL
DORZOLAMIDEChEMBL
Manual XrefsDatabases
C06969KEGG COMPOUND
ETSPDBeChem
D07871KEGG DRUG
DB00869DrugBank
EP296879Patent
US4797413Patent
DorzolamideWikipedia
LSM-5597LINCS
949DrugCentral
Registry NumbersSources
Beilstein:5910880Beilstein
CAS:120279-96-1KEGG COMPOUND
CAS:120279-96-1ChemIDplus
Citations