Lvguidingan - 10mM in DMSO , CAS No.82351-05-1

CAS: 82351-05-1 Cat. No.: L426127 Summenformel: C₁₃H₁₅Cl₂NO Molekulargewicht: 272.17

GRADE & PURITY 10mM in DMSO

Synonyms

Lvguidingan|82351-05-1|Anticonvulsant 7903|(E)-N-butan-2-yl-3-(3,4-dichlorophenyl)prop-2-enamide|2-Propenamide, 3-(3,4-dichlorophenyl)-N-(1-methylpropyl)-|N-(sec-Butyl)-3-(3,4-dichlorophenyl)acrylamide|3,4-Dichlorophenyl propenylisobutylamide|3,4-Dichloro

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

Lvguidingan (Anticonvulsant 7903, 3,4-dichlorophenyl propenylisobutylamide) is an anticonvulsant/antiepileptic agent. Lvguidingan (Anticonvulsant 7903) is found to be able to increase the concentration of5-HTand5-HIAAin mice brain.

Specifications

Synonyme

Lvguidingan | 82351-05-1 | Anticonvulsant 7903 | (E)-N-butan-2-yl-3-(3,4-dichlorophenyl)prop-2-enamide | 2-Propenamide, 3-(3,4-dichlorophenyl)-N-(1-methylpropyl)- | N-(sec-Butyl)-3-(3,4-dichlorophenyl)acrylamide | 3,4-Dichlorophenyl propenylisobutylamide | 3,4-Dichloro

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Namen und Kennungen

• Pubchem Sid: 528765407
• Kanonisches Lächeln: CCC(C)NC(=O)C=CC1=CC(=C(C=C1)Cl)Cl
• IUPAC Name: (E)-N-butan-2-yl-3-(3,4-dichlorophenyl)prop-2-enamide
• InChIKey: WMHSFCNWWYFBSS-FNORWQNLSA-N
• INCHI: 1S/C13H15Cl2NO/c1-3-9(2)16-13(17)7-5-10-4-6-11(14)12(15)8-10/h4-9H,3H2,1-2H3,(H,16,17)/b7-5+
• Isomere SMILES: CCC(C)NC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl
• Molekulargewicht: 272.17
• Reaxy-Rn: 33108382
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33108382&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acid amides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid amides
• Alternative Parents: Chlorobenzenes N-acyl amines Vinyl chlorides Chloroalkenes Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid amide - Halobenzene - Chlorobenzene - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Carboxamide group - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 272.170 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 271.053 Da
• Monoisotopic Mass: 271.053 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 281.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1