기본 정보
- CAS
48134-75-4- 표준 SMILES
C[n+]1ccc(-c2ccccc2)cc1- InChIKey
FMGYKKMPNATWHP-UHFFFAOYSA-N- 분자식
- C12H12N+
- 평균 분자량
- 170.23 g/mol
- 단동위원소 질량
- 170.09697439
개요
N-methyl-4-phenylpyridinium is a pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position. It has a role as a herbicide, a neurotoxin, an apoptosis inducer and a human xenobiotic metabolite.
이름 및 식별자
- 우선 이름
- 1-Methyl-4-phenylpyridinium
- IUPAC
- 1-methyl-4-phenylpyridin-1-ium
- 현지명
- 1-메틸-4-페닐-피리딘
- 영어명
- 1-methyl-4-phenyl-pyridine
- 분자식
- C12H12N+
- 분자량
- 170.23
이름 및 동의어
Cyperquat1-METHYL-4-PHENYLPYRIDINIUMN-Methyl-4-phenylpyridine48134-75-4N-Methyl-4-phenylpyridinium ionN-Methyl-4-phenylpyridiniumPyridinium, 1-methyl-4-phenyl-R865A5OY8J1-Methyl-4-phenylpyridinium Ion1 Methyl 4 phenylpyridine1 Methyl 4 PhenylpyridiniumCHEBI:641
이름 더 보기
1-메틸-4-페닐-피리딘1-methyl-4-phenyl-pyridine1-Methyl-4-phenylpyridinium chloride1-methyl-4-phenylpyridin-1-ium chloride
DTXSID4058106RefChem:76329N Methyl 4 phenylpyridineDTXCID70318741 Methyl 4 phenylpyridinium Ion1 Methyl 4 phenylpyridinium Chloride1-Methyl-4-phenylpyridineMPP+
데이터베이스 식별자
- CAS
48134-75-4- PubChem CID
- 39484
- DTXSID
DTXSID4058106- ChEMBL
CHEMBL311617- ChEBI
CHEBI:641- UNII
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 3.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 1
- 복잡도
- 141
물리화학적 성질
- EPA
- Cyperquat (48134-75-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 독성
- The proximal toxicant formed when MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) is metabolized by monoamine oxidase B. Unlike MPTP, this compound will not pass the blood-brain barrier, but it is a substrate for the dopamine neurotransporter, and thus is able to enter dopamine neurons. It is believed to destroy dopamine neurons by mechanisms involving both free radical production and inhibition of mitochondrial electron transport.
화학 및 산업
약리 정보
Metabolism/Metabolites1-methyl-4-phenylpyridin-1-ium is a known human metabolite of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine.
MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.
공급사1 곳
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
추가 설명
정의ChEBI: A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…