CHEBI:73298 - (+)-butaclamol

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ChEBI Name (+)-butaclamol
ChEBI ID CHEBI:73298
Definition An organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
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Formula C25H31NO
Net Charge 0
Average Mass 361.51970
Monoisotopic Mass 361.24056
InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
InChIKey ZZJYIKPMDIWRSN-TZBSWOFLSA-N
SMILES [H][C@]12C[C@](O)(CCN1C[C@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): dopaminergic antagonist
A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
Application(s): dopaminergic antagonist
A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
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ChEBI Ontology
Outgoing (+)-butaclamol (CHEBI:73298) has role dopaminergic antagonist (CHEBI:48561)
(+)-butaclamol (CHEBI:73298) is a amino alcohol (CHEBI:22478)
(+)-butaclamol (CHEBI:73298) is a organic heteropentacyclic compound (CHEBI:38164)
(+)-butaclamol (CHEBI:73298) is a tertiary alcohol (CHEBI:26878)
(+)-butaclamol (CHEBI:73298) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
(3R,4aR,13bR)-3-tert-butyl-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol
Synonyms Sources
butaclamol ChEBI
d-Butaclamol ChemIDplus
Manual Xrefs Databases
Butaclamol Wikipedia
US2012035203 Patent
WO2010129273 Patent
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Registry Numbers Types Sources
56245-67-1 CAS Registry Number ChemIDplus
5767449 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22588261 PubMed citation Europe PMC
23035552 PubMed citation Europe PMC
23597562 PubMed citation Europe PMC
2418852 PubMed citation Europe PMC
436760 PubMed citation Europe PMC
6167812 PubMed citation Europe PMC
Last Modified
10 May 2013