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· · COA & SDS available for every product · Same-day shipping on in-stock items Ethyl 8-chloro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate , CAS No.78756-33-9
Synonyms
Ethyl 8-chloro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylate | ZRD5QFZ6DV | Ro-151310 | Ethyl 8-chloro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate | 4H-Imidazo(1,5-a)(1,4)benzodiazepine-
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Ethyl 8-chloro-5, 6-dihydro-5-methyl-6-oxo-4H-imidazo(1, 5-a)(1, 4)benzodiazepine-3-carboxylate | ZRD5QFZ6DV | Ro-151310 | Ethyl 8-chloro-5-methyl-6-oxo-5, 6-dihydro-4H-benzo[f]imidazo[1, 5-a][1, 4]diazepine-3-carboxylate | 4H-Imidazo(1, 5-a)(1, 4)benzodiazepine-
Product Properties Names and Identifiers Canonical Smiles CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)Cl)C IUPAC Name ethyl 8-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate InChIKey QORLMYYHZLDYOR-UHFFFAOYSA-N INCHI 1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 Isomeric SMILES CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)Cl)C PubChem CID 114888 Molecular Weight 319.74
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzodiazepines Subclass 1,4-benzodiazepines Intermediate Tree Nodes Not available Direct Parent Imidazo[1,5-a][1,4]benzodiazepines Alternative Parents 1,4-diazepines Carbonylimidazoles Aryl chlorides Benzenoids N-substituted imidazoles Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Imidazo[1,5-a][1,4]benzodiazepine - Para-diazepine - Imidazole-4-carbonyl group - Aryl chloride - Aryl halide - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Imidazole - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organochloride - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as imidazo[1,5-a][1,4]benzodiazepines. These are compounds containing an imidazole ring and a 1,4-benzodiazepine ring system, both sharing one nitrogen atom. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 319.740 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 319.072 Da Monoisotopic Mass 319.072 Da Topological Polar Surface Area 64.400 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 461.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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