1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1)
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1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1)
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CAS No:
169675-09-6
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Formula:
C11H12ClFN2.C4H4O4
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Chemical Name:
1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1)
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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
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CAS No:
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
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.
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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1H-Indole-1-ethanamine, 6-chloro-5-fluoro-α-methyl-, (αS)-, (2E)-2-butenedioate (1:1)
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