Acetaminophen-D4 - analytical standard , CAS No.64315-36-2

CAS: 64315-36-2 Cat. No.: A136987 Fórmula: C₈D₄H₅NO₂ Peso molecular: 155.19 Número EC: 804-095-7

CALIDAD & PUREZA Analytical standard

Synonyms

Acetaminophen-(ring-d4), analytical standard | AB08551 | N-(4-Hydroxyphenyl)acetamide-d4 | N-[4-hydroxy(2,3,5,6-?H?)phenyl]acetamide | EN300-25981101 | Acetaminophen-d4 (major) | N-[4-hydroxy(2H4)phenyl]acetamide | N-Acetyl-4-aminophenol-d4 | Paracetamol-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

An analgesic and an antipyretic.

Especificaciones

Sinónimos

Acetaminophen-(ring-d4), analytical standard | AB08551 | N-(4-Hydroxyphenyl)acetamide-d4 | N-[4-hydroxy(2,3,5,6-?H?)phenyl]acetamide | EN300-25981101 | Acetaminophen-d4 (major) | N-[4-hydroxy(2H4)phenyl]acetamide | N-Acetyl-4-aminophenol-d4 | Paracetamol-

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Patrón analítico

Tipo de acción

INHIBITOR

Nombres e identificadores

Pubchem Sid

528775980

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528775980

Sonrisas canónicas

CC(=O)NC1=CC=C(C=C1)O

IUPAC Name

N-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetamide

InChIKey

RZVAJINKPMORJF-QFFDRWTDSA-N

INCHI

1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)/i2D,3D,4D,5D

Isómeros SMILES

[2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])O)[2H]

WGK Alemania

1

Peso molecular

155.19

Reaxy-Rn

2208089

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208089&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: N-acetylarylamines 1-hydroxy-2-unsubstituted benzenoids Acetamides Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - N-acetylarylamine - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Dimethyl Sulfoxide and Methanol
• Punto de inflamación (°F): 370.4 °F
• Punto de inflamación (°C): 188 °C
• Peso molecular: 155.190 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.088 Da
• Monoisotopic Mass: 155.088 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• Isotope Atom Count: 4
• 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