기본 정보
- CAS
17780-72-2- 표준 SMILES
C#CCN(C)CCCOc1ccc(Cl)cc1Cl- InChIKey
BTFHLQRNAMSNLC-UHFFFAOYSA-N- 분자식
- C13H15Cl2NO
- 평균 분자량
- 272.17 g/mol
- 단동위원소 질량
- 271.0530695
개요
Clorgyline is an aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant. It has a role as an antidepressant and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It is a dichlorobenzene, an aromatic ether, a tertiary amino compound and a terminal acetylenic compound.
이름 및 식별자
- 우선 이름
- Clorgyline
- IUPAC
- 3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
- 현지명
- 클로지라인
- 영어명
- CLORGYLINE
- 분자식
- C13H15Cl2NO
- 분자량
- 272.17
이름 및 동의어
ClorgilineCLORGYLINE17780-72-2ChlorgylineClorgilinaClorgilinumM and B 9302M & B 9302N-(3-(2,4-Dichlorophenoxy)propyl)-N-methyl-2-propynylamineM&B 9302LYJ16FZU9QN-(3-(2,4-dichlorophenoxy)propyl)-N-methylprop-2-yn-1-amine
이름 더 보기
클로지라인N-[3-(2,4-Dichlorophenoxy)propyl]-N-methyl-2-propyn-1-aminem&b9302mandb9302n-(3-(2,4-dichlorophenoxy)propyl)-n-methyl-2-propynylaminn-(3-(2,4-dichlorophenoxy)propyl)-n-methyl-2-propyn-1-aminN-Methyl-N-[3-(2,4-dichlorophenoxy)propyl]-2-propyne-1-amine3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine2-Propyn-1-aMine, N-[3-(2,4-dichlorophenoxy)propyl]-N-Methyl-
DTXSID3048445M&B-9302N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-CHEBI:3763ClorgilinRefChem:127097DTXCID9028419
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 263
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical shift
Collision Cross Section156.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 끓는 점
- 361.3 · 361.3±37.0 °C(Predicted)
- 밀도
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.98 · 6.98±0.50(Predicted)
- 물리적 상태
- Liquid
- 색상
- Colorless to light yellow
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.
A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414)
공급사16 곳
Aladdin Scientific[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
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