1-벤질-1,2,3,4-테트라히드로이소퀴놀린

1-Benzyl-1,2,3,4-Tetrahydroisoquinoline

HCID 98468CAS 19716-56-4

기본 정보

표준 SMILES
c1ccc(CC2NCCc3ccccc32)cc1
InChIKey
YRYCIFUZSUMAAY-UHFFFAOYSA-N
분자식
C16H17N
평균 분자량
223.31 g/mol
단동위원소 질량
223.13609954

개요

(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline is a benzyltetrahydroisoquinoline. It is a conjugate base of a 1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium.

이름 및 식별자

우선 이름
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
IUPAC
1-benzyl-1,2,3,4-tetrahydroisoquinoline
현지명
1-벤질-1,2,3,4-테트라히드로이소퀴놀린
영어명
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
분자식
C16H17N
분자량
223.31

이름 및 동의어

1-Benzyl-1,2,3,4-tetrahydroisoquinoline19716-56-41BnTIQS49 Isoquinoline1,2,3,4-Tetrahydro-1-(phenylmethyl)isoquinolineX4S06GK4KNIsoquinoline, 1,2,3,4-tetrahydro-1-(phenylmethyl)-NSC-140739J432.285ADTXSID70864898AR-R 15209RefChem:907504
이름 더 보기
1-벤질-1,2,3,4-테트라히드로이소퀴놀린
DTXCID108133651-benzyl-1,2,3,4-tetrahydro-isoquinoline(R,S)-Tetrahydrobenzylisoquinoline(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinolineCHEMBL21640MFCD00024130Isoquinoline, 1-benzyl-1,2,3,4-tetrahydro-,rac-(1R)-1-benzyl-1,2,3,4-tetrahydroisoquinoline

데이터베이스 식별자

CAS
19716-56-4
PubChem CID
98468
DTXSID
DTXSID70864898
ChEMBL
CHEMBL21640
ChEBI
CHEBI:16804
UNII
X4S06GK4KN
Nikkaji
J432.285A

물성

구조 계산 물성

XLogP
3.3
극성 표면적
12 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
17

실험 및 물리화학적 성질

Physical DescriptionSolid

물리화학적 성질

끓는 점
120 °C · 120 °C(Press: 0.005 Torr)
밀도
1.06 · 1.060±0.06 g/cm3(Predicted)
산도 계수 (pKa)
9.66 · 9.66±0.40(Predicted)

안전 및 규제

안전 데이터

HS 번호
2933499090
위험 등급
IRRITANT

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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.

Cellular LocationsMembrane

공급사16 곳

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