Butaclamol

HCID 37461CAS 36504-93-5

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

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
이름 더 보기
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

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

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 · 2건

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.

공급사3 곳

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]

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