Doxylamine Succinate - ≥99% , Histamine H1 receptor antagonist, CAS No.562-10-7, Histamine H1 receptor antagonist

CAS: 562-10-7 Cat. No.: D129627 Fórmula: C₁₇H₂₂N₂O·C₄H₆O₄ Peso molecular: 388.46 Número CE: 209-228-7

GRADE & PURITY ≥99%

Synonyms

MLS000758288 | DOXYLAMINE SUCCINATE [MI] | SMR000058436 | Basic Care Sleep Aid | Doxylamine.succinate | Doxy-sleep-aid | Decapryn succinate (1:1) | DOXYLAMINE SUCCINATE COMPONENT OF BENDECTIN | SLEEP AID25mg | Unisom | Dormidina | DOXYLAMINE SUCCINATE [US

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Doxylamine succinate competitively inhibits histamine at H1 receptors with substantial sedative and anticholinergic effects

Specifications

Sinónimos

MLS000758288 | DOXYLAMINE SUCCINATE [MI] | SMR000058436 | Basic Care Sleep Aid | Doxylamine.succinate | Doxy-sleep-aid | Decapryn succinate (1:1) | DOXYLAMINE SUCCINATE COMPONENT OF BENDECTIN | SLEEP AID25mg | Unisom | Dormidina | DOXYLAMINE SUCCINATE [US

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Doxylamine Succinate is an antihistaminic, sedative, and hypnotic. Doxylamine Succinate is also a H1 histamine receptor antagonist.

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Tipo de ação

ANTAGONIST

Mecanismo de ação

Histamine H1 receptor antagonist

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504752087

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752087

Sorrisos canónicos

CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O

IUPAC Name

butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine

InChIKey

KBAUFVUYFNWQFM-UHFFFAOYSA-N

INCHI

1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)

SMILES isoméricas

CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O

WGK Alemanha

2

RTECS

US9275000

Peso molecular

388.46

Reaxy-Rn

3829474

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3829474&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Pyridines and derivatives Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Benzylether - Dicarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• External Descriptors: organic molecular entity

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

Alvos associados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO 78 mg/mL Water 78 mg/mL Ethanol 78 mg/mL
• Sensibilidade: Light sensitive
• Ponto de fusão (°C): 95-98°C
• Peso molecular: 388.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 388.2 Da
• Monoisotopic Mass: 388.2 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 369.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 562-10-7, the molecular formula is C17H22N2O·C4H6O4, and the molecular weight is 388.46 g/mol. InChIKey KBAUFVUYFNWQFM-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.