Serazapine , CAS No.115313-22-9

CAS: 115313-22-9 Cat. No.: S1029550 Summenformel: C₂₂H₂₃N₃O₂ Molekulargewicht: 361.400

Storage

Room temperature

Specifications

Storage

Room temperature

Aktionsart

ANTAGONIST

Namen und Kennungen

• Kanonisches Lächeln: CN1CCN2C(C1)C3=C(C4=CC=CC=C4N3CC5=CC=CC=C52)C(=O)OC
• IUPAC Name: methyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate
• InChIKey: WPGUWABWNUSPMW-UHFFFAOYSA-N
• INCHI: 1S/C22H23N3O2/c1-23-11-12-24-17-9-5-3-7-15(17)13-25-18-10-6-4-8-16(18)20(22(26)27-2)21(25)19(24)14-23/h3-10,19H,11-14H2,1-2H3
• Molekulargewicht: 361.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: 1,4-benzodiazepines Indoles Pyrrole carboxylic acids and derivatives Dialkylarylamines Aralkylamines N-methylpiperazines Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Methyl esters Amino acids and derivatives Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Benzodiazepine - 1,4-benzodiazepine - Indole - Pyrrole-3-carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Substituted pyrrole - Benzenoid - Vinylogous amide - Methyl ester - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• 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: 361.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 361.179 Da
• Monoisotopic Mass: 361.179 Da
• Topological Polar Surface Area: 37.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 570.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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

The CAS Number is 115313-22-9, the molecular formula is C22H23N3O2, and the molecular weight is 361.400 g/mol. InChIKey WPGUWABWNUSPMW-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.