Norcisapride, (+)- - ≥95% , CAS No.83863-69-8

CAS: 83863-69-8 Cat. No.: N1363427 Formula: C₁₄H₂₀ClN₃O₃ Peso molecolare: 313.78 Numero EC: 281-134-9

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CO[C@H]1CNCC[C@H]1NC(=O)C2=CC(=C(C=C2OC)N)Cl
• IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[(3S,4R)-3-methoxypiperidin-4-yl]benzamide
• InChIKey: OMLDMGPCWMBPAN-YPMHNXCESA-N
• INCHI: 1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)/t11-,13+/m1/s1
• Peso molecolare: 313.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzamides
• Alternative Parents: 3-halobenzoic acids and derivatives Aminophenyl ethers Methoxyanilines Benzamides Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Piperidines Aryl chlorides Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Primary amines Organopnictogen compounds Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminobenzamide - Aminophenyl ether - Methoxyaniline - Benzamide - Phenol ether - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Anisole - Methoxybenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Piperidine - Aryl chloride - Aryl halide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Organonitrogen compound - Amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene 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

Proprietà chimiche e fisiche

• Peso molecolare: 313.780 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 313.119 Da
• Monoisotopic Mass: 313.119 Da
• Topological Polar Surface Area: 85.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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