기본 정보
- CAS
137018-55-4- 표준 SMILES
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2.Cl.Cl- InChIKey
KJGXSMZHYBXPIS-ZHXNKHNVSA-N- 분자식
- C30H46Cl2N6O2
- 평균 분자량
- 593.6 g/mol
- 단동위원소 질량
- 592.3059301
이름 및 식별자
- 우선 이름
- U 83836E
- IUPAC
- (2R)-2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;dihydrochloride
- 영어명
- U-83836E
- 분자식
- C30H45ClN6O2
- 분자량
- 557.18
이름 및 동의어
137018-55-4u-83836eU 83836ERefChem:933716U83836EU 82836E(2R)-2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;dihydrochloride(2R)-2-[[4-(2,6-Di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]methyl]-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-6-ol dihydrochlorideorb1703960CHEMBL3216717SCHEMBL29435423DTXSID801371791
이름 더 보기
PNU-83836EU83836E,U 83836E(-)-2-((4-(2,6-DI-1-PYRROLIDINYL-4-PYRIMIDINYL)-1-PIPERAZINYL)METHYL)-3,4-DIHYDRO-2,3,7,8-TETRAMETHYL-2H-1-BENZOPYRAN-6-OL, 2HCL(-)-2-((4-(2,6-DI-1-PYRROLIDINYL-4-PYRIMIDINYL)-1-PIPERAZINYL)METHYL)-3,4-DIHYDRO-2,3,7,8-TETRAMETHYL-2H-1-BENZOPYRAN-6-OL, 2HCL
PNU 83836EAKOS040745407CID 9808654MS-33213ST110547U 83836 dihydrochloride; PNU 83836EHY-117762CS-0067727
데이터베이스 식별자
- CAS
137018-55-4- PubChem CID
- 9808654
- DTXSID
DTXSID801371791- ChEMBL
CHEMBL3216717
물성
구조 계산 물성
- 극성 표면적
- 68.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 783
물리화학적 성질
- 저장 조건
- -20 °C · Desiccate at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- Solid
- 색상
- Light yellow to yellow
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Drugs that are used to treat asthma.
응용 분야
용도U 82836E is an iron-dependent lipid peroxidation inhibitor. This free radical scavenger has potent neuroprotective effects against ischemic injury and diabetic neuropathy.
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