Rilmenidine hemifumarate - ≥98% , CAS No.207572-68-7

CAS: 207572-68-7 Cat. No.: R288402 Molecular Weight: 238.29 PubChem CID: 45073450

GRADE & PURITY ≥98%

Synonyms

BR162477 | NSC 664312 hemifumarate; Oxaminozoline hemifumarate; Rilmenidene hemifumarate;S 3341 hemifumarate | (E)-but-2-enedioic acid;N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine | Rilmenidine (hemifumarate) | N-(Dicyclopropylmethyl)-4,5-dihydr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

BR162477 | NSC 664312 hemifumarate; Oxaminozoline hemifumarate; Rilmenidene hemifumarate;S 3341 hemifumarate | (E)-but-2-enedioic acid;N-(dicyclopropylmethyl)-4, 5-dihydro-1, 3-oxazol-2-amine | Rilmenidine (hemifumarate) | N-(Dicyclopropylmethyl)-4, 5-dihydr

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

I1-imidazoline binding site selective ligand andα2-adrenoceptor agonist. Possesses greater I1vsα2selectivity than the prototypical compound, clonidine. Also thought to enhance autophagy; shown to increase LC3-II levels in PC12 cells.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CC1C(C2CC2)NC3=NCCO3.C1CC1C(C2CC2)NC3=NCCO3.C(=CC(=O)O)C(=O)O
• IUPAC Name: (E)-but-2-enedioic acid;N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
• InChIKey: LZFATBMLSYHRTC-WXXKFALUSA-N
• INCHI: 1S/2C10H16N2O.C4H4O4/c2*1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;5-3(6)1-2-4(7)8/h2*7-9H,1-6H2,(H,11,12);1-2H,(H,5,6)(H,7,8)/b;;2-1+
• Isomeric SMILES: C1CC1C(C2CC2)NC3=NCCO3.C1CC1C(C2CC2)NC3=NCCO3.C(=C/C(=O)O)\C(=O)O
• WGK Germany: 3
• RTECS: RP7207400
• PubChem CID: 45073450
• Molecular Weight: 238.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Unsaturated fatty acids Oxazolines Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Not available
• Substituents: Dicarboxylic acid or derivatives - Unsaturated fatty acid - Fatty acid - Fatty acyl - Oxazoline - Isourea - Carboxylic acid - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 5.96, Max Conc. mM: 25; Solvent:ethanol, Max Conc. mg/mL: None, Max Conc. mM: 25; Solvent:water, Max Conc. mg/mL: 5.96, Max Conc. mM: 25
• Sensitivity: Moisture sensitive
• Molecular Weight: 476.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 476.263 Da
• Monoisotopic Mass: 476.263 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 338.000
• 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: 3

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