Dorzolamide, (+/-)-(cis)-

Base Information

• Chemical Name: Dorzolamide, (+/-)-(cis)-
• CAS No.: 120279-90-5
• Molecular Formula: C10H16N2O4S3
• Molecular Weight: 324.44
• UNII: A4JPI6XU9A
• DSSTox Substance ID: DTXSID10152786
• Nikkaji Number: J3.130.820H
• Wikidata: Q27273624
• Pharos Ligand ID: LWV37231K4ZD
• ChEMBL ID: CHEMBL276679
• Mol file: 120279-90-5.mol

Synonyms:Dorzolamide, (+/-)-(cis)-;Dorzolamide impurity B;120279-90-5;(+/-)-(cis)-dorzolamide;149249-72-9;UNII-A4JPI6XU9A;(+/-)-(Cis)-4R,6R-dorzolamide;A4JPI6XU9A;CHEMBL276679;(4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;Dorzolamide hydrochloride impurity B [EP];(4RS,6SR)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide;4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4R,6S)-rel-;4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, cis-;(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide;NCGC00016977-01;CAS-130693-82-2;SCHEMBL4525137;DTXSID10152786;BDBM50041042;DORZOLAMIDE, (CIS)-(+/-)-;PD062929;Q27273624;DORZOLAMIDE HYDROCHLORIDE IMPURITY B [EP IMPURITY];(4R,6S)-4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide

Chemical Property of Dorzolamide, (+/-)-(cis)-

Chemical Property:

• PSA: 151.33000
• LogP: 3.86480
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 324.02722052
• Heavy Atom Count: 19
• Complexity: 534

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C
• Isomeric SMILES: CCN[C@@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C