(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride (CHEBI:64078)

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CHEBI:64078 - (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride

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ChEBI ID	CHEBI:64078
ChEBI Name	(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride
Stars
ASCII Name	(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride
Definition	A hydrochloride salt obtained by mixing equimolar amounts of (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol with hydrochloric acid. Potent and selective dopamine D₁-like receptor agonist (pEC50 values are 8.97 and < 5 for D₁-like and D₂-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo.
Last Modified	2 March 2012
Submitter	Steve
Downloads	Molfile

Formula	C20H27NO3.HCl
Net Charge	0
Average Mass	365.901
Monoisotopic Mass	365.17577
SMILES	Cl.NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O
InChI	InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20?;/m0./s1
InChIKey	BWHPNJVKFAPVOG-QYFJGNGUSA-N

Roles Classification

Biological Role:	dopamine agonist A drug that binds to and activates dopamine receptors.
Applications:	antiparkinson drug A drug used in the treatment of Parkinson's disease. dopamine agonist A drug that binds to and activates dopamine receptors.

ChEBI Ontology

Outgoing Relation(s)
	(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride (CHEBI:64078) has part (1R,3S)-3-(adamantan-1-yl)-1-(ammoniomethyl)-3,4-dihydroisochromene-5,6-diol(1+) (CHEBI:64079)
	(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride (CHEBI:64078) has role antiparkinson drug (CHEBI:48407)
	(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride (CHEBI:64078) has role dopamine agonist (CHEBI:51065)
	(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride (CHEBI:64078) is a hydrochloride (CHEBI:36807)

IUPAC Name
(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride

Synonyms	Source
A 77636 hydrochloride	ChEBI
A77636 hydrochloride	ChEBI
A-77636	ChemIDplus
3-(1'-Adamantyl)-1-aminomethyl-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyran hydrochloride	ChemIDplus
A 77636	ChemIDplus
A77636	ChemIDplus

Registry Numbers	Sources
Reaxys:5859104	Reaxys
CAS:145307-34-2	ChemIDplus