기본 정보
- CAS
25243-95-2- 표준 SMILES
CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C- InChIKey
CXTATJFJDMJMIY-CYBMUJFWSA-O- 분자식
- C15H30NO4+
- 평균 분자량
- 288.4 g/mol
- 단동위원소 질량
- 288.21748344
이름 및 식별자
- 우선 이름
- 3-Carboxy-N,N,N-Trimethyl-2-(Octanoyloxy)Propan-1-Aminium
- IUPAC
- [(2R)-3-carboxy-2-octanoyloxypropyl]-trimethylazanium
- 현지명
- (3S)-3-옥타노일옥시-4-트리메틸아자늄일부타노에이트
- 영어명
- (3S)-3-octanoyloxy-4-trimethylazaniumylbutanoate
- 분자식
- C15H29NO4
- 분자량
- 287.4
이름 및 동의어
3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM[(2R)-3-carboxy-2-(octanoyloxy)propyl]trimethylazanium((2R)-3-carboxy-2-(octanoyloxy)propyl)trimethylazaniumRefChem:499573Tocris-0605OCBCHEMBL1234930SCHEMBL28251517octanoyl-L-carnitine (uncharged form)DB03832NCGC00024679-01NS00069058
이름 더 보기
(3S)-3-옥타노일옥시-4-트리메틸아자늄일부타노에이트OCTANOYL-L-CARNITINEOctoyl-L-carnitineL-OctanoylcarnitineO-octanoyl-L-carnitineOctanoyl-L-carnitineOctanoyl-L-carnitine >=97.0% (TLC)(3S)-3-octanoyloxy-4-trimethylazaniumylbutanoate
[(2R)-3-carboxy-2-octanoyloxypropyl]-trimethylazaniumQ27464087(2R)-3-carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium
데이터베이스 식별자
- CAS
25243-95-2- PubChem CID
- 449186
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 20
- 형식 전하
- 1
- 복잡도
- 297
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- Solid
- 색상
- White to off-white
- BRN
- 5955761 · 5955761
- 주요 응용
- 임상 시험
- InChI
- 1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1
- InChIKey
- CXTATJFJDMJMIY-CYBMUJFWSA-N
- SMILES
- C[N+](C)(C)C[C@H](OC(CCCCCCC)=O)CC([O-])=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Cellular LocationsExtracellular
Metabolite PathwaysMitochondrial Beta-Oxidation of Short Chain Saturated Fatty Acids
응용 분야
용도Octanoyl-L-carnitine may be used as an analytical standard in the following:Separation and identification of underivatized octanoyl-L-carnitine in human plasma samples using high-performance liquid chromatography coupled to tandem mass spectrometry (HPLC-MS/MS).Quantification of the analyte in biological samples of patients treated with continuous ambulatory peritoneal dialysis (CAPD) or automated peritoneal dialysis (APD) using high-performance liquid chromatography/tandem quadrupole mass spectrometry (HPLC-TQMS). The feasibility of adding L-carnitine to the peritoneal dialysis (PD) solution in APD-treated end-stage renal disease patients is investigated.It may be used as a test material for investigating its rate of oxidation by mitochondria, isolated from the livers of fed, starved and glucagon treated virgin and lactating rats.
일반 설명Octanoyl-L-carnitine is a medium-chain endogenous ester of L-carnitine, obtained via acylcarnitine family transferase.
공급사21 곳
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州安励合生物科技有限公司13928234501 18098185186 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…