Roxatidine - ≥98% , CAS No.78273-80-0

CAS: 78273-80-0 Cat. No.: R649145 Formula: C₁₇H₂₆N₂O₃ Peso molecolare: 306.4 PubChem CID: 91276

GRADE & PURITY ≥98%

Synonyms

FT-0756141 | Roxatidine (INN) | ROXATIDINE [INN] | Roxit (TN) | 2-Hydroxy-N-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}acetamide | ROXATIDINE [WHO-DD] | UNII-IV9VHT3YUM | 2-HYDROXY-N-(3-(3-(1-PIPERIDINYLMETHYL)PHENOXY)PROPYL)ACETAMIDE | Acetamide, 2-hydrox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Roxatidine is an active metabolite of Roxatidine acetate hydrochloride, is a histamine H2-receptor antagonist. Roxatidine, an anti-ulcer agent, suppresses histamine release (thus inhibiting proton secretion) and inhibits the production of VEGF-1, an important marker of inflammation and angiogenesis. Anti-allergic inflammatory effect.

Form:Solid

Specifications

Sinonimi

FT-0756141 | Roxatidine (INN) | ROXATIDINE [INN] | Roxit (TN) | 2-Hydroxy-N-{3-[3-(1-piperidinylmethyl)phenoxy]propyl}acetamide | ROXATIDINE [WHO-DD] | UNII-IV9VHT3YUM | 2-HYDROXY-N-(3-(3-(1-PIPERIDINYLMETHYL)PHENOXY)PROPYL)ACETAMIDE | Acetamide, 2-hydrox

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Roxatidine is an active metabolite of Roxatidine acetate hydrochloride, is a histamine H2-receptor antagonist. Roxatidine, an anti-ulcer agent, suppresses histamine release (thus inhibiting proton secretion) and inhibits the production of VEGF-1, an impor

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CO
• IUPAC Name: 2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
• InChIKey: BCCREUFCSIMJFS-UHFFFAOYSA-N
• INCHI: 1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21)
• Isomeri SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CO
• PubChem CID: 91276
• Peso molecolare: 306.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Alkyl aryl ethers Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Primary alcohol - Amine - Alcohol - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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

Proprietà chimiche e fisiche

• Solubilità: DMSO : 100 mg/mL (326.37 mM; Need ultrasonic)
• Peso molecolare: 306.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 306.194 Da
• Monoisotopic Mass: 306.194 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 319.000
• 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: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 78273-80-0, the molecular formula is C17H26N2O3, and the molecular weight is 306.4 g/mol. InChIKey BCCREUFCSIMJFS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.