Ibuprofen Arginate - Moligand™, Ibuprofen 52.9~56.85% , CAS No.57469-82-6

CAS: 57469-82-6 Cat. No.: I171055 Summenformel: C₁₉H₃₂N₄O₄ Molekulargewicht: 380.48 EG-Nummer: 183-924-8 PubChem CID: 9864669

GRADE & PURITY Moligand™, Ibuprofen 52.9~56.85%

Synonyms

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid | (S)-2-Amino-5-guanidinopentanoic acid compound with 2-(4-isobutylphenyl)propanoic acid (1:1) | ibuprofen arginine | Zafen (TN) | Ibuprofen L-arginine | 2-[4-(2-methylpropyl)phenyl]propanoic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid | (S)-2-Amino-5-guanidinopentanoic acid compound with 2-(4-isobutylphenyl)propanoic acid (1:1) | ibuprofen arginine | Zafen (TN) | Ibuprofen L-arginine | 2-[4-(2-methylpropyl)phenyl]propanoic acid

Spezifikationen & Reinheit

Moligand™, Ibuprofen 52.9~56.85%

Biochemische und physiologische Mechanismen

Ibuprofen arginate is the more soluble arginate salt form of the nonsteroidal anti-inflammatory drug (NSAID) ibuprofen. Ibuprofen arginate retains the inhibitory potency against COX-2 as ibuprofen and its sodium salt, however only ibuprofen arginate is ab

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Namen und Kennungen

Pubchem Sid

528771637

Kanonisches Lächeln

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

IUPAC Name

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid

InChIKey

GCCOJNYCFNSJII-VWMHFEHESA-N

INCHI

1S/C13H18O2.C6H14N4O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4(5(11)12)2-1-3-10-6(8)9/h4-7,9-10H,8H2,1-3H3,(H,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1

Isomere SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N

PubChem CID

9864669

Molekulargewicht

380.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Monocyclic monoterpenoids L-alpha-amino acids Aromatic monoterpenoids Phenylpropanes Fatty acids and conjugates Guanidines Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: 2-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - P-cymene - L-alpha-amino acid - Monocyclic monoterpenoid - Monoterpenoid - Aromatic monoterpenoid - Phenylpropane - Fatty acid - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Amino acid - Guanidine - Carboxylic acid derivative - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic 1,3-dipolar compound - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic 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

• Löslichkeit: H2O: 20 mg/mL, clear
• Empfindlichkeit: moisture sensitive
• Molekulargewicht: 380.500 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 380.242 Da
• Monoisotopic Mass: 380.242 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 379.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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