Rilmenidine Phosphate - ≥98% , CAS No.85409-38-7

CAS: 85409-38-7 Cat. No.: R413777 Fórmula: C₁₀H₁₉N₂O₅P Peso molecular: 278.24 Número CE: 287-106-2 PubChem CID: 198614

GRADE & PURITY ≥98%

Synonyms

SCHEMBL1231349 | A841323 | AKOS015900521 | RILMENIDINE HYDROGEN PHOSPHATE | s7548 | 2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro-, phosphate (1:1) | 2-((DICYCLOPROPYLMETHYL)AMINO)-2-OXAZOLINE PHOSPHATE | RILMENIDINE DIHYDROGEN PHOSPHATE [EP MONOGRAP

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Rilmenidine Phosphate Rilmenidine Phosphate is a selective I(1) imidazoline receptor agonist, used for the treatment of hypertension.

Specifications

Sinónimos

SCHEMBL1231349 | A841323 | AKOS015900521 | RILMENIDINE HYDROGEN PHOSPHATE | s7548 | 2-Oxazolamine, N-(dicyclopropylmethyl)-4,5-dihydro-, phosphate (1:1) | 2-((DICYCLOPROPYLMETHYL)AMINO)-2-OXAZOLINE PHOSPHATE | RILMENIDINE DIHYDROGEN PHOSPHATE [EP MONOGRAP

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Rilmenidine Phosphate is a selective I(1) imidazoline receptor agonist, used for the treatment of hypertension.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

ALogP

1.296

Contagem HBD

1

Ligação rotativa

4

Nomes e identificadores

Pubchem Sid

488188593

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188593

Sorrisos canónicos

C1CC1C(C2CC2)NC3=NCCO3.OP(=O)(O)O

IUPAC Name

N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine;phosphoric acid

InChIKey

ZJCOWRFWZOAVFY-UHFFFAOYSA-N

INCHI

1S/C10H16N2O.H3O4P/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;1-5(2,3)4/h7-9H,1-6H2,(H,11,12);(H3,1,2,3,4)

SMILES isoméricas

C1CC1C(C2CC2)NC3=NCCO3.OP(=O)(O)O

PubChem CID

198614

Peso molecular

278.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphoric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphoric acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphoric acids and derivatives
• Alternative Parents: Oxazolines Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Organic phosphoric acid derivative - Oxazoline - Isourea - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organic phosphoric acids and derivatives. These are organic compounds containing phosphoric acid or a derivative thereof.
• 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro Water: 55 mg/mL (197.67 mM); DMSO: 1 mg/mL warmed with 50ºC Water: bath (3.59 mM); Ethanol: Insoluble
• Sensibilidade: Moisture sensitive
• DMSO (mg/mL) Solubilidade máxima: 1
• DMSO (mM) Solubilidade máxima: 3.594019551
• Água (mg/mL) Solubilidade máxima: 55
• Água (mM) Solubilidade máxima: 197.6710753
• Peso molecular: 278.240 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 278.103 Da
• Monoisotopic Mass: 278.103 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 269.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3