Ozagrel sodium - 10mM in Water , CAS No.189224-26-8

CAS: 189224-26-8 Cat. No.: O422319 Summenformel: C₁₃H₁₁N₂O₂.Na Molekulargewicht: 250.2 EG-Nummer: 988-659-9 PubChem CID: 23663942

GRADE & PURITY 10mM in Water

Synonyms

A912378 | AC-15516 | AMY3367 | CCG-266963 | HMS3887A15 | XanbonS | Cataclot | sodium;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoate | BCP12393 | D01684 | sodium 3-{4-[(1H-imidazol-1-yl)methyl]phenyl}prop-2-enoate | AS-12150 | Q27260625 | 2-Propenoic a

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

A912378 | AC-15516 | AMY3367 | CCG-266963 | HMS3887A15 | XanbonS | Cataclot | sodium;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoate | BCP12393 | D01684 | sodium 3-{4-[(1H-imidazol-1-yl)methyl]phenyl}prop-2-enoate | AS-12150 | Q27260625 | 2-Propenoic a

Spezifikationen & Reinheit

10mM in Water

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Aktionsart

INHIBITOR

Namen und Kennungen

• Pubchem Sid: 528766518
• Kanonisches Lächeln: C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)[O-].[Na+]
• IUPAC Name: sodium;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoate
• InChIKey: NCNYJCOBUTXCBR-IPZCTEOASA-M
• INCHI: 1S/C13H12N2O2.Na/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);/q;+1/p-1/b6-5+
• Isomere SMILES: C1=CC(=CC=C1CN2C=CN=C2)/C=C/C(=O)[O-].[Na+]
• PubChem CID: 23663942
• Molekulargewicht: 250.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Styrenes Imidazolyl carboxylic acids and derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid - Styrene - Imidazolyl carboxylic acid derivative - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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: 250.230 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 250.072 Da
• Monoisotopic Mass: 250.072 Da
• Topological Polar Surface Area: 58.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 289.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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