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
Weitere Namen anzeigen
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
- Formalladung
- 0
- Komplexität
- 553
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
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.
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