Butaclamol

HCID 37461CAS 36504-93-5

Grundinformationen

Standard-SMILES
CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1
InChIKey
ZZJYIKPMDIWRSN-TZBSWOFLSA-N
Summenformel
C25H31NO
Durchschnittliche Molmasse
361,5 g/mol
Monoisotopische Masse
361,24056461

Überblick

(+)-butaclamol is 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. It has a role as a dopaminergic antagonist. It is an amino alcohol, a tertiary alcohol, an organic heteropentacyclic compound and a tertiary amino compound.

Namen und Bezeichner

Bevorzugter Name
Butaclamol
IUPAC
(1R,6R,8R)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol
Englischer Name
Butaclamol
Summenformel
C25H31NO
Molmasse
361.52

Namen und Synonyme

BUTACLAMOLA7A2802VNLl-ButaclamolDTXSID5048429RefChem:917727DTXCID60820423ButaclamolumButaclamol free baseButaclamol [INN]36504-93-5CHEMBL1255588(1R,6R,8R)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol
Weitere Namen anzeigen
028ZZJYIKPMDIWRSN-TZBSWOFLSA-N1H-Benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol, 3-(1,1-dimethylethyl)-2,3,4,4a,8,9,13b,14-octahydro-, (3R,4aR,13bR)-rel-
1H-Benzo(6,7)cyclohepta(1,2,3-de)-pyrido(2,1-a)isoquinolin-3-ol, 3-(1,1-dimethylethyl)-2,3,4,4a,8,9,13b,14-octahydro-, hydrochloride, (3alpha,4alpha,13beta)-(+/-)-(+)butaclamol(+) butaclamol36504-93-5 (free base)Butaclamolum [Latin]UNII-A7A2802VNLorb1703644SCHEMBL12119010

Datenbank-Bezeichner

CAS
36504-93-5
PubChem CID
37461
DTXSID
DTXSID5048429
ChEMBL
CHEMBL1255588、CHEMBL8514
ChEBI
CHEBI:73298
UNII
A7A2802VNL
Nikkaji
J10.271G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5
Polarare Oberfläche (TPSA)
23,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
27

Physikochemische Eigenschaften

Siedepunkt
500.3 · 500.3±38.0 °C(Predicted)
Dichte
1.16 · 1.16±0.1 g/cm3(Predicted)
pka
14.84 · 14.84±0.20(Predicted)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.

Anbieter3 Anbieter

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上海陶术生物科技股份有限公司13564774135 · [email protected]
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