기본 정보
- CAS
541-14-0- 표준 SMILES
C[N+](C)(C)C[C@@H](O)CC(=O)[O-]- InChIKey
PHIQHXFUZVPYII-LURJTMIESA-N- 분자식
- C7H15NO3
- 평균 분자량
- 161.2 g/mol
개요
(S)-carnitine is the (S)-enantiomer of carnitine. It is a conjugate base of a (S)-carnitinium. It is an enantiomer of a (R)-carnitine.
이름 및 식별자
- 우선 이름
- D-Carnitine
- IUPAC
- (3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate
- 현지명
- D-카르니틴
- 영어명
- D(+)-Carnitine
- 분자식
- C7H15NO3
- 분자량
- 161.2
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
541-14-0- PubChem CID
- 2724480
- ChEMBL
CHEMBL503189- ChEBI
CHEBI:11060- UNII
- U9VY0ZOK7A
- EC Number
- 625-884-0
- Nikkaji
- J94.155G
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 60.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 134
물리화학적 성질
- 녹는점
- 197 °C · 197 °C
- 끓는 점
- 287.5 °C · 287.5°C (rough estimate)
- 밀도
- 1.1587 · 1.1587 (rough estimate)
- 굴절률
- 1.45 · 1.4500 (estimate)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- Merck
- 13 · 13,1862
- 안정성
- 흡습성
- InChI
- InChI=1/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/s3
- InChIKey
- PHIQHXFUZVPYII-ISZMHOAENA-N
- SMILES
- C([C@@H](O)CC(=O)[O-])[N+](C)(C)C |&1:1,r|
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
독성 정보
Toxicity Summary
Levocarnitine can be synthesised within the body from the amino acids lysine or methionine. Vitamin C (ascorbic acid) is essential to the synthesis of carnitine. Levocarnitine is a carrier molecule in the transport of long chain fatty acids across the inner mitochondrial membrane. It also exports acyl groups from subcellular organelles and from cells to urine before they accumulate to toxic concentrations. Only the L isomer of carnitine (sometimes called vitamin BT) affects lipid metabolism. Levocarnitine is handled by several proteins in different pathways including carnitine transporters, carnitine translocases, carnitine acetyltransferases and carnitine palmitoyltransferases.
안전 데이터
- wgk
- 3
- rtecs
- BP2979850
- HS 번호
- 29391900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 위험 등급
- IRRITANT
화학 및 산업
약리 정보
Metabolism/Metabolites
After oral administration L-carnitine which is unabsorbed is metabolized in the gastrointestinal tract by bacterial microflora. Major metabolites include trimethylamine N-oxide and [3H]-gamma-butyrobetaine. Route of Elimination: Following a single intravenous dose, 73.1 +/- 16% of the dose was excreted in the urine during the 0-24 hour interval. Post administration of oral carnitine supplements, in addition to a high carnitine diet, 58-65% of the administered radioactive dose was recovered from urine and feces in 5-11 days. Half Life: 17.4 hours (elimination) following a single intravenous dose.
용도 및 제조
Uses
For treatment of primary systemic carnitine deficiency, a genetic impairment of normal biosynthesis or utilization of levocarnitine from dietary sources, or for the treatment of secondary carnitine deficiency resulting from an inborn error of metabolism such as glutaric aciduria II, methyl malonic aciduria, propionic acidemia, and medium chain fatty acylCoA dehydrogenase deficiency. Used therapeutically to stimulate gastric and pancreatic secretions and in the treatment of hyperlipoproteinemias. Parenteral levocarnitine is indicated for the prevention and treatment of carnitine deficiency in patients with end-stage renal disease.
응용 분야
용도Essential cofactor of fatty acid metabolism; required for the transport of fatty acids through the inner mitochondrial membrane. Synthetized primarily in the liver and kidney; highest concentrations found in heart and skeletal muscle. Dietary sources include red meat, dairy products, beans, avocado.
상·하류 제품 정보
하류 제품
공급사101 곳
추가 설명
정의ChEBI: The (S)-enantiomer of carnitine.
관련 반응
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