Naratriptan hydrochloride - ≥98% , Serotonin 1d (5-HT1d) receptor agonist, CAS No.143388-64-1, Serotonin 1d (5-HT1d) receptor agonist

CAS: 143388-64-1 Cat. No.: N129630 Fórmula: C₁₇H₂₅N₃O₂S·HCl Peso molecular: 371.93 Número EC: 662-728-0

GRADE & PURITY ≥98%

Synonyms

Amerge | Amerge (TN) | GR-85548A hydrochloride | N-methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulfonamide Monohydrochloride | N-Methyl-3-(1-methyl-4-piperidyl)indole-5-ethanesulfonamide monohydrochloride | UNII-10X8X4P12Z | 2-[3-(1-methyl-piperid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Amerge | Amerge (TN) | GR-85548A hydrochloride | N-methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulfonamide Monohydrochloride | N-Methyl-3-(1-methyl-4-piperidyl)indole-5-ethanesulfonamide monohydrochloride | UNII-10X8X4P12Z | 2-[3-(1-methyl-piperid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Mecanismo de acción

Serotonin 1d (5-HT1d) receptor agonist

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504753724

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753724

Sonrisas canónicas

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.Cl

IUPAC Name

N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;hydrochloride

InChIKey

AWEZYKMQFAUBTD-UHFFFAOYSA-N

INCHI

1S/C17H25N3O2S.ClH/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;/h3-4,11-12,14,18-19H,5-10H2,1-2H3;1H

Isómeros SMILES

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.Cl

WGK Alemania

3

CAS alternativo

121679-13-8

Peso molecular

371.93

Reaxy-Rn

7786629

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7786629&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Aralkylamines Substituted pyrroles Piperidines Organosulfonamides Organic sulfonamides Benzenoids Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Aralkylamine - Piperidine - Substituted pyrrole - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Pyrrole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• External Descriptors: hydrochloride

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO and Methanol
• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 234-236°C
• Peso molecular: 371.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 371.143 Da
• Monoisotopic Mass: 371.143 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 483.000
• 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