Amoxydramine - Moligand™,≥95% , CAS No.3922-74-5

CAS: 3922-74-5 Cat. No.: A1059298 Molecular Weight: 271.35 EC Number: 642-139-5 PubChem CID: 65618

GRADE & PURITY Moligand™, ≥95%

Synonyms

Diphenhydramine N-Oxide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Amoxydramine is a metabolite of Diphenhydramine (HY-B0303). Amoxydramine is a first-generation histamine H1-receptor antagonist with anti-cholinergic effect. Amoxydramine can across the ovine blood-brain barrier (BBB)

Specifications

Synonyms

Diphenhydramine N-Oxide

Specifications & Purity

Moligand™, ≥95%

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.

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[O-]
• IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine oxide
• InChIKey: OEQNVWKWQPTBSC-UHFFFAOYSA-N
• INCHI: 1S/C17H21NO2/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
• Isomeric SMILES: C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)[O-]
• PubChem CID: 65618
• Molecular Weight: 271.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzylethers Trialkyl amine oxides Trisubstituted amine oxides and derivatives Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Benzylether - Trialkyl amine oxide - Trisubstituted n-oxide - Ether - Dialkyl ether - N-oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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

• Molecular Weight: 271.350 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 271.157 Da
• Monoisotopic Mass: 271.157 Da
• Topological Polar Surface Area: 27.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 250.000
• 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