2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137)

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CHEBI:64137 - 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol

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ChEBI ID	CHEBI:64137
ChEBI Name	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol
Stars
ASCII Name	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol
Definition	A tertiary amino compound that consists of 2-amino-7-hydroxytetralin in which the two amino hydrogens are substituted by 2E)-3-iodoallyl and propyl groups. This ligand has uniquely high affinity and selectivity for the D₃ receptor.
Last Modified	9 March 2012
Submitter	Steve
Downloads	Molfile

Formula	C16H22INO
Net Charge	0
Average Mass	371.262
Monoisotopic Mass	371.07461
SMILES	CCCN(C/C=C/I)C1CCc2ccc(O)cc2C1
InChI	InChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/b8-3+
InChIKey	RTMIJLQPWFKAFE-FPYGCLRLSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	dopamine agonist A drug that binds to and activates dopamine receptors.
Application:	dopamine agonist A drug that binds to and activates dopamine receptors.

ChEBI Ontology

Outgoing Relation(s)
	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137) has parent hydride tetralin (CHEBI:35008)
	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137) has role dopamine agonist (CHEBI:51065)
	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137) is a organoiodine compound (CHEBI:37142)
	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137) is a phenols (CHEBI:33853)
	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137) is a tertiary amino compound (CHEBI:50996)
	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137) is a tetralins (CHEBI:36786)
	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137) is conjugate base of 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+) (CHEBI:64138)
Incoming Relation(s)
Incoming Relation(s)	2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+) (CHEBI:64138) is conjugate acid of 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol (CHEBI:64137)

IUPAC Name
7-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}-5,6,7,8-tetrahydronaphthalen-2-ol

Synonyms	Source
7-hydroxy-PIPAT	ChEBI
7-Hydroxy-2-(N-n-propyl-N-(3-iodo-2'-propenyl)-amino)tetralin	ChemIDplus
7-OH-Pipat-A	ChemIDplus
7-OH-Pipat	ChemIDplus
2-{[(2E)-3-iodoallyl](propyl)amino}tetralin-7-ol	ChEBI

Registry Numbers	Sources
Reaxys:6336838	Reaxys
CAS:148258-46-2	ChemIDplus

Citations