CHEBI:138033 - dotarizine

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ChEBI Name dotarizine
ChEBI ID CHEBI:138033
Definition An N-alkylpiperazine in which the two amino hydrogens of piperazine have been replaced by diphenylmethyl and 3-(2-phenyl-1,3-dioxolan-2-yl)propyl groups. A calcium channel blocker and serotonin (5-HT2) receptor antagonist used in the treatment of migraine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Charles Tapley Hoyt
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Formula C29H34N2O2
Net Charge 0
Average Mass 442.594
Monoisotopic Mass 442.26203
InChI InChI=1S/C29H34N2O2/c1-4-11-25(12-5-1)28(26-13-6-2-7-14-26)31-21-19-30(20-22-31)18-10-17-29(32-23-24-33-29)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2
InChIKey LRMJAFKKJLRDLE-UHFFFAOYSA-N
SMILES C1CN(CCN1CCCC2(C3=CC=CC=C3)OCCO2)C(C4=CC=CC=C4)C5=CC=CC=C5
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): calcium channel blocker
One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Application(s): serotonergic antagonist
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
vasodilator agent
A drug used to cause dilation of the blood vessels.
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ChEBI Ontology
Outgoing dotarizine (CHEBI:138033) has role calcium channel blocker (CHEBI:38215)
dotarizine (CHEBI:138033) has role serotonergic antagonist (CHEBI:48279)
dotarizine (CHEBI:138033) has role vasodilator agent (CHEBI:35620)
dotarizine (CHEBI:138033) is a N-alkylpiperazine (CHEBI:46845)
dotarizine (CHEBI:138033) is a cyclic ketal (CHEBI:59779)
dotarizine (CHEBI:138033) is a dioxolane (CHEBI:39430)
IUPAC Name
1-(diphenylmethyl)-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazine
INNs Sources
dotarizina ChemIDplus
dotarizine ChemIDplus
dotarizine ChemIDplus
dotarizinum ChemIDplus
Synonyms Sources
1-(Diphenylmethyl)-4-[3-(2-phenyl-1,3-dioxolan-2-yl)propyl]piperazin SUBMITTER
FI-6026 ChEBI
Manual Xrefs Databases
49929 Chemspider accession
Dotarizine Wikipedia
EP97340 Patent
US4883797 Patent
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Registry Numbers Types Sources
6879159 Reaxys Registry Number Reaxys
84625-59-2 CAS Registry Number ChemIDplus
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Last Modified
05 December 2017