기본 정보
- CAS
17780-75-5- 표준 SMILES
C#CCN(C)CCCOc1ccc(Cl)cc1Cl.Cl- InChIKey
BBAZDLONIUABKI-UHFFFAOYSA-N- 분자식
- C13H16Cl3NO
- 평균 분자량
- 308.6 g/mol
- 단동위원소 질량
- 307.029747
개요
See also: Clorgyline (annotation moved to).
이름 및 식별자
- 우선 이름
- Clorgyline hydrochloride
- IUPAC
- 3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine;hydrochloride
- 현지명
- 클로로질린염산염
- 영어명
- Clorgyline hydrochloride
- 분자식
- C13H16Cl3NO
- 분자량
- 308.63
이름 및 동의어
CLORGYLINE HYDROCHLORIDE17780-75-5CLORGILINE HYDROCHLORIDEClorgyline HClEINECS 241-760-5NSC-759306H38V165133N-(3-(2,4-Dichlorophenoxy)propyl)-N-methyl-2-propynylamine hydrochloride2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-, hydrochloride2-Propyn-1-amine, N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-, hydrochloride (1:1)NSC 759306Propylamine, 3-(2,4-dichlorophenoxy)-N-methyl-N-propargyl-, hydrochloride
이름 더 보기
클로로질린염산염Clorgiline (hydrochloride)Clorgyline HCl (M&B 9302, MB9302)Clorgyline hydrochloride, 10 mM in DMSOClorgyline hydrochloride, MAO-A inhibitorN-methyl-N-propargyl-3-(2,4-*dichlorophenoxy)propN-METHYL-N-PROPARGYL-3-(2,4-*DICHLOROPHE NOXY)PROPYLN-Methyl-N-propargyl-3-(2,4-dichlorophenoxy)propylamine3-(2,4-dichlorophenoxy)-n-methyl-n-propargyl-propylaminhydrochloride
N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-2-propynylamine hydrochloride2-PROPYN-1-AMINE, N-(3-(2,4-DICHLOROPHENOXY)PROPYL)-N-METHYL-, HYDROCHLORIDE (1:1)RefChem:5777512-Propynylamine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-, hydrochloride (7CI,8CI)2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-, hydrochloride (9CI)N-Methyl-N-propargyl-3-(2,4-dichlorophenoxy)propylamine hydrochlorideN-(3-(2,4-dichlorophenoxy)propyl)-N-methylprop-2-yn-1-amine hydrochlorideMFCD00052012
물성
구조 계산 물성
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 263
실험 및 물리화학적 성질
Solubility8.7 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section157 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 용해도
- 17.65 mg/mL · ≥17.65 mg/mL in DMSO; ≥18.2 mg/mL in EtOH; ≥24.8 mg/mL in H2O
- 물리적 상태
- 결정성 고체
- 색상
- White to off-white
- InChI
- 1S/C13H15Cl2NO.ClH/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15;/h1,5-6,10H,4,7-9H2,2H3;1H
- InChIKey
- BBAZDLONIUABKI-UHFFFAOYSA-N
- SMILES
- Cl.CN(CCCOc1ccc(Cl)cc1Cl)CC#C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 155 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- rtecs
- UI0675000
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
- 포장분류
- III
- 위험 등급
- 6.1(b)
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
개요Clorgyline is a potent monoamine oxidase (MAO) inhibitor that preferentially targets MAO-A over MAO-B (Kis = 0.054 and 58 μM, respectively). This inhibition is irreversible. Clorgyline is without effect on serotonin receptors, but it does inhibit the sigma receptor σ1 on Jurkat human T lymphocyte cells (IC50 = 31 nM). As MAO-A preferentially oxidizes serotonin, selective MAO-A inhibitors have applications in ameliorating depression and anxiety.
용도Antidepressant;Monoamine oxidase A inhibitor
공급사74 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海波以尔化工有限公司[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…