Etomidate Acid - ≥98% , CAS No.56649-48-0

CAS: 56649-48-0 Cat. No.: E357563 Fórmula: C₁₂H₁₂N₂O₂ Peso molecular: 216.24

CALIDAD & PUREZA ≥98%

Synonyms

Etomidate acid, (R)- | R28141 | R-28141 | Desethyletomidate | R 28141 | UNII-324NBY7A0M | (R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLICACID | Q27127293 | SCHEMBL1081228 | 1-(1R)-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid | 1-[(1R)-1-phenylethyl]

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Especificaciones

Sinónimos

Etomidate acid, (R)- | R28141 | R-28141 | Desethyletomidate | R 28141 | UNII-324NBY7A0M | (R)-(+)-1-(1-PHENYLETHYL)-1H-IMIDAZOLE-5-CARBOXYLICACID | Q27127293 | SCHEMBL1081228 | 1-(1R)-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid | 1-[(1R)-1-phenylethyl]

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488191431

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191431

Sonrisas canónicas

CC(C1=CC=CC=C1)N2C=NC=C2C(=O)O

IUPAC Name

3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid

InChIKey

RGYCCBLTSWHXIS-SECBINFHSA-N

INCHI

1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)/t9-/m1/s1

Isómeros SMILES

C[C@H](C1=CC=CC=C1)N2C=NC=C2C(=O)O

Peso molecular

216.24

Reaxy-Rn

650707

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=650707&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidazole-4-carbonyl group - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
• External Descriptors: imidazolyl carboxylic acid

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive；Moisture sensitive.
• Punto de fusión (°C): 158-161°C
• Peso molecular: 216.240 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.09 Da
• Monoisotopic Mass: 216.09 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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