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Home > Encyclopedia > 1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1)

1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1)

1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1) structure

1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1) 

structure
  • CAS No:

    169675-09-6

  • Formula:

    C11H12ClFN2.C4H4O4

  • Chemical Name:

    1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1)

  • Synonyms:

    1H-Indole-1-ethanamine,6-chloro-5-fluoro-α-methyl-,(αS)-,(2E)-2-butenedioate (1:1);1H-Indole-1-ethanamine,6-chloro-5-fluoro-α-methyl-,(S)-,(E)-2-butenedioate (1:1);Ro 60-0175

  • Categories:

    Organic Chemistry  >  Amides

Description

(2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine is a 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine that has S configuration. A selective agonist for both the 5-hydroxytryptamine 2B (5-HT2B) and 5-hydroxytryptamine 2C (5-HT2C)serotonin receptor subtypes, commonly used as fumarate salt. It has a role as a 5-hydroxytryptamine 2B receptor agonist and a 5-hydroxytryptamine 2C receptor agonist.

1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1) Basic Attributes

342.75

342.07800

Characteristics

105.55000

3.19310

353.2ºC at 760mmHg

167.4ºC

Desiccate at RT

3.65E-05mmHg at 25°C

Safety Information

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

2-(6-chloro-5-fluoroindol-1-yl)-1-methylethylamine fumarate

1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1) Use and Manufacturing

Potent, selective 5-HT 2 receptor agonist; shows selectivity for the 5-HT 2C subtype (pK i values are 9, 7.5, 5.4, 5.2 and 5.6 for human 5-HT 2C , 2A , 1A , 6 and 7 receptors respectively). Centrally active following oral or systemic administration in vivo .

Computed Properties

Molecular Weight:226.68
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:226.0673042
Monoisotopic Mass:226.0673042
Topological Polar Surface Area:31
Heavy Atom Count:15
Complexity:227
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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