Butaclamol

HCID 37461

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

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
Show more names
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

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

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 · 2 items

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

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
Additional notes · 1 item

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

15 records

Compound notes

Loading…