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

CAS: 56649-48-0 Cat. No.: E357563 Summenformel: C₁₂H₁₂N₂O₂ Molekulargewicht: 216.24

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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]

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488191431

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Azoles
      • Subclass Imidazoles
        • Ebene5 Substituted imidazoles
          • Ebene6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive；Moisture sensitive.
• Schmelzpunkt (°C): 158-161°C
• Molekulargewicht: 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