5-Methoxytryptamine hydrochloride - ≥98% , CAS No.66-83-1

CAS: 66-83-1 Cat. No.: M185915 Fórmula: C₁₁H₁₄N₂O·HCl Peso molecular: 226.7 Número CE: 200-637-6

GRAU & PUREZA ≥98%

Synonyms

1H-INDOLE-3-ETHANAMINE, 5-METHOXY-, HYDROCHLORIDE (1:1) | 5-Methoxytryptamine hydrochloride | 5-Methoxytryptamine monohydrochloride | DTXSID801017272 | SCHEMBL1322980 | Tox21_500789 | SPECTRUM2300296 | TXVAYRSEKRMEIF-UHFFFAOYSA-N | Mexamine hydrochloride

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

1H-INDOLE-3-ETHANAMINE, 5-METHOXY-, HYDROCHLORIDE (1:1) | 5-Methoxytryptamine hydrochloride | 5-Methoxytryptamine monohydrochloride | DTXSID801017272 | SCHEMBL1322980 | Tox21_500789 | SPECTRUM2300296 | TXVAYRSEKRMEIF-UHFFFAOYSA-N | Mexamine hydrochloride

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

A non-selective serotonin antagonist agonist lacking 5-HT3 receptor affinity

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

AGONIST

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488180019

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180019

Sorrisos canónicos

COC1=CC2=C(C=C1)NC=C2CCN.Cl

IUPAC Name

2-(5-methoxy-1H-indol-3-yl)ethanamine;hydrochloride

InChIKey

TXVAYRSEKRMEIF-UHFFFAOYSA-N

INCHI

1S/C11H14N2O.ClH/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H

SMILES isoméricas

COC1=CC2=C(C=C1)NC=C2CCN.Cl

WGK Alemanha

3

RTECS

NL4110000

Peso molecular

226.7

Reaxy-Rn

3717598

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3717598&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: 3-alkylindoles Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - 3-alkylindole - Indole - Anisole - 2-arylethylamine - Alkyl aryl ether - Aralkylamine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ether - Azacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• 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

Alvos associados (humanos)

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

Discover Target: EHMT2

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Alvos associados (não humanos)

Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 245-250 °C
• Peso molecular: 226.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.087 Da
• Monoisotopic Mass: 226.087 Da
• Topological Polar Surface Area: 51.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 186.000
• 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

Perguntas frequentes

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 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 66-83-1, the molecular formula is C11H14N2O·HCl, and the molecular weight is 226.7 g/mol. InChIKey TXVAYRSEKRMEIF-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.