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CHEBI:36381 - (2S,3S,11bS)-benzquinamide

ChEBI IDCHEBI:36381
ChEBI Name(2S,3S,11bS)-benzquinamide
Stars
ASCII Name(2S,3S,11bS)-benzquinamide
Last Modified20 August 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H32N2O5
Net Charge0
Average Mass404.507
Monoisotopic Mass404.23112
SMILES[H][C@@]12C[C@H](OC(C)=O)[C@@H](C(=O)N(CC)CC)CN1CCc1cc(OC)c(OC)cc12
InChIInChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3/t17-,18-,19-/m0/s1
InChIKeyJSZILQVIPPROJI-FHWLQOOXSA-N
Roles Classification
Biological Roles:
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Applications:
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
antiemetic  A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,11bS)-benzquinamide (CHEBI:36381) is a benzquinamide (CHEBI:27662)
IUPAC Name 
(2S,3S,11bS)-3-(diethylcarbamoyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl acetate
Registry NumbersSources
Beilstein:502386Beilstein