엘시부콜
Elsibucol
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기본 정보
- CAS
216167-95-2- 표준 SMILES
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OCCCC(=O)O)c(C(C)(C)C)c1- InChIKey
YHFUPQNXMNMQAK-UHFFFAOYSA-N- 분자식
- C35H54O4S2
- 평균 분자량
- 602.9 g/mol
- 단동위원소 질량
- 602.34635221
개요
Elsibucol is an alkylbenzene.
이름 및 식별자
- 우선 이름
- Elsibucol
- IUPAC
- 4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]butanoic acid
- 현지명
- 엘시부콜
- 영어명
- ELSIBUCOL
- 분자식
- C35H54O4S2
- 분자량
- 602.93
이름 및 동의어
Elsibucol216167-95-2AGI-1096O7T92N1Y8TDTXSID30176005(4,2,6-di-tert-butyl-4-(1-(3,5-di-tert-butyl-4-hydroxy-phenylsulfanyl)-1-methyl-ethylsulfanyl)-phenoxy-butyric acid)elsibucolumRefChem:590721DTXCID3098496AGI 1096Elsibucol [USAN:INN]4-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]butanoic acid
이름 더 보기
엘시부콜YHFUPQNXMNMQAK-UHFFFAOYSA-N4-(2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenoxy)butanoic acidButanoic acid,4-[4-[[1-[[3,5-bis(1,1-diMethylethyl)-4-hydroxyphenyl]thio]-1-Methylethyl]thio]-2,6-bis(1,1-diMethylethyl)phenoxy]-
UNII-O7T92N1Y8T4-(4-((1-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)sulfanyl)-1-methylethyl)sulfanyl)-2,6-bis(1,1-dimethylethyl)phenoxy)butanoic acidButanoic acid, 4-(4-((1-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)-1-methylethyl)thio)-2,6-bis(1,1-dimethylethyl)phenoxy)-4-[4-[[1-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]sulfanyl]-1-methylethyl]sulfanyl]-2,6-bis(1,1-dimethylethyl)phenoxy]butanoic acidELSIBUCOL [INN]Elsibucol (USAN/INN)ELSIBUCOL [USAN]orb1697325
데이터베이스 식별자
- CAS
216167-95-2- PubChem CID
- 10218732
- DTXSID
DTXSID30176005- ChEMBL
CHEMBL2107336- ChEBI
CHEBI:177641- UNII
- O7T92N1Y8T
물성
구조 계산 물성보충 중
- XLogP
- 11.5
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 794
물리화학적 성질
- 녹는점
- 138 · 138-139 °C
- 끓는 점
- 661.8 · 661.8±55.0 °C(Predicted)
- 밀도
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.59 · 4.59±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
약리 정보
Mechanism of ActionAGI-1096 is a novel phenolic intracellular antioxidant with anti-inflammatory and antiproliferative properties.
응용 분야
용도Prevention of solid organ transplant rejection.
관련 반응
2건
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