기본 정보
- 표준 SMILES
CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1- InChIKey
ZZJYIKPMDIWRSN-TZBSWOFLSA-N- 분자식
- C25H31NO
- 평균 분자량
- 361.5 g/mol
- 단동위원소 질량
- 361.24056461
개요
(+)-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.
이름 및 식별자
- 우선 이름
- 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
- 영어명
- Butaclamol
- 분자식
- C25H31NO
- 분자량
- 361.52
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
36504-93-5- PubChem CID
- 37461
- DTXSID
DTXSID5048429- ChEMBL
CHEMBL1255588、CHEMBL8514- ChEBI
CHEBI:73298- UNII
- A7A2802VNL
- Nikkaji
- J10.271G
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 553
물리화학적 성질
- 끓는 점
- 500.3 · 500.3±38.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.84 · 14.84±0.20(Predicted)
화학 및 산업
약리 정보
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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