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Yorodumi- ChemComp-H4C: 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: H4C | ||
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Name | Name: Synonyms: 7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene Wikipedia | Wikipedia - Etizolam: Etizolam (marketed under many brand names) is a thienodiazepine derivative which is a benzodiazepine analog. The etizolam molecule differs from a benzodiazepine in that the benzene ring has been replaced by a thiophene ring and triazole ring has been fused, making the drug a thienotriazolodiazepine. | Although a thienodiazepine, etizolam is clinically regarded as a benzodiazepine because of its mode of action via the benzodiazepine receptor and directly targeting GABAA allosteric modulator receptors. It possesses anxiolytic, amnesic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties. It was patented in 1972 and approved for medical use in 1983. As of April 2021, the export of Etizolam has been banned in India. ... |
-Chemical information
Composition | Formula: C17H16ClN4S / Number of atoms: 39 / Formula weight: 343.854 / Formal charge: 1 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H4C / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4C66 | ||||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-4c66:
Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains