rabeximod - Moligand™ , CAS No.872178-65-9

CAS: 872178-65-9 Cat. No.: R613081 PubChem CID: 56841552

GRADE & PURITY Moligand™

Synonyms

2-(9-Chloro-2,3-dimethyl-6H-indolo[2,3-b]quinoxalin-6-yl)-N-[2-(dimethylamino)ethyl]ethanimidic acid | SCHEMBL16053849 | DTXSID701007428 | Rabeximodum [INN] | UNII-J4D3K58W3Z | J4D3K58W3Z | GTPL9856 | Rabeximod [INN] | 6H-INDOLO(2,3-B)QUINOXALINE-6-ACETAM

Storage

Room temperature

Specifications

同義語

2-(9-Chloro-2,3-dimethyl-6H-indolo[2,3-b]quinoxalin-6-yl)-N-[2-(dimethylamino)ethyl]ethanimidic acid | SCHEMBL16053849 | DTXSID701007428 | Rabeximodum [INN] | UNII-J4D3K58W3Z | J4D3K58W3Z | GTPL9856 | Rabeximod [INN] | 6H-INDOLO(2,3-B)QUINOXALINE-6-ACETAM

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

名前と識別子

• カノニカル・スマイル: CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C
• IUPAC Name: 2-(9-chloro-2,3-dimethylindolo[3,2-b]quinoxalin-6-yl)-N-[2-(dimethylamino)ethyl]acetamide
• InChIKey: PDNNUMNEXITLCZ-UHFFFAOYSA-N
• INCHI: 1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)
• 異性体SMILES: CC1=CC2=C(C=C1C)N=C3C(=N2)C4=C(N3CC(=O)NCCN(C)C)C=CC(=C4)Cl
• PubChem CID: 56841552

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoxalines
• Alternative Parents: N-alkylindoles Indoles Pyrrolopyrazines Aryl chlorides Pyrazines Benzenoids Substituted pyrroles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Quinoxaline - Indole - Indole or derivatives - Pyrrolopyrazine - Aryl chloride - Aryl halide - Pyrazine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring.
• 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

化学的性質と物理的性質

• 分子量: 409.900 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 409.167 Da
• Monoisotopic Mass: 409.167 Da
• Topological Polar Surface Area: 63.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 590.000
• 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

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 872178-65-9. InChIKey PDNNUMNEXITLCZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.