Demoxepam - ≥99% , CAS No.963-39-3

CAS: 963-39-3 Cat. No.: D647683 Summenformel: C₁₅H₁₁ClN₂O₂ Molekulargewicht: 286.72 EG-Nummer: 213-515-2 PubChem CID: 13756

GRADE & PURITY ≥99%

Synonyms

7-chloro-4-oxido-5-phenyl-1,3-dihydro-1,4-benzodiazepin-4-ium-2-one | Demoxepam 1.0 mg/ml in Methanol | 7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-Oxide (Demoxepam) | Chlordiazepoxide lactam | DTXSID4046155 | EINECS 213-515-2 | D02600 | To

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Demoxepam is a major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxicity activity against cancer cell lines. Demoxepam has anticonvulsant and anxiolytic effects.

Form:Solid

Specifications

Synonyme

7-chloro-4-oxido-5-phenyl-1,3-dihydro-1,4-benzodiazepin-4-ium-2-one | Demoxepam 1.0 mg/ml in Methanol | 7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-Oxide (Demoxepam) | Chlordiazepoxide lactam | DTXSID4046155 | EINECS 213-515-2 | D02600 | To

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Demoxepam is a major metabolite of Chlordiazepoxide. Demoxepam exhibits cytotoxicity activity against cancer cell lines. Demoxepam has anticonvulsant and anxiolytic effects.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl
• IUPAC Name: 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
• InChIKey: PSADRZMLSXCSAS-UHFFFAOYSA-N
• INCHI: 1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8,20H,9H2
• Isomere SMILES: C1C(=O)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl
• PubChem CID: 13756
• Molekulargewicht: 286.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: Alpha amino acids and derivatives Benzene and substituted derivatives Aryl chlorides N-acylimines N-organohydroxylamines Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,4-benzodiazepine - Alpha-amino acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-acylimine - Carboxylic acid derivative - Azacycle - N-organohydroxylamine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• 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.

DOI: 10.1186/s13321-016-0174-y

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Plasmodium falciparum (966862 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 286.710 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 286.051 Da
• Monoisotopic Mass: 286.051 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 554.000
• 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