Basic information
- CAS
36504-93-5- Standard SMILES
CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1- InChIKey
ZZJYIKPMDIWRSN-TZBSWOFLSA-N- Molecular formula
- C25H31NO
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.24056461
Overview
(+)-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.
Names & identifiers
- Preferred 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
- English name
- Butaclamol
- Molecular formula
- C25H31NO
- Molecular weight
- 361.52
Names & synonyms
Show more names
Database identifiers
- CAS
36504-93-5- PubChem CID
- 37461
- DTXSID
DTXSID5048429- ChEMBL
CHEMBL1255588、CHEMBL8514- ChEBI
CHEBI:73298- UNII
- A7A2802VNL
- Nikkaji
- J10.271G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Boiling point
- 500.3 · 500.3±38.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 14.84 · 14.84±0.20(Predicted)
- FDA UNII
- 7 A2802VNL · A7A2802VNL
Chemistry & industry
Pharmacology
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.
Applications
UsesButaclamol is a antipsychotic agent and act as a D2 receptor antagonist[1].
Suppliers3 total
Additional notes
DefinitionChEBI: (+)-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 organic heteropentacyclic compound, a tertiary alcohol, a tertiary amino compound and an amino alcohol.
Related reactions
Compound notes
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