D-카르니틴

D-Carnitine

HCID 2724480

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

D-carnitine541-14-0D-(+)-carnitine(+)-Carnitine(S)-carnitine(3S)-3-hydroxy-4-(trimethylazaniumyl)butanoateCarnitine, (+)-UNII-U9VY0ZOK7AU9VY0ZOK7ACARNITINE, D-(3S)-3-hydroxy-4-(trimethylammonio)butanoate(+)-D-CARNITINE
이름 더 보기
D-카르니틴D(+)-카르니틴D-Vitamin BTD-CARNITINEHCLCarnitine D-formD(+)-Carnitine,98%L-carnitine Impurity 1D(+)-Carnitine USP/EP/BPD-CARNITINE HYDROCHLORIDEDL-CARNITINE BENZYL ESTER CHLORIDE
CHEBI:11060S-(+)-3-hydroxy-4-trimethylaminobutyrate1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, (S)-1-PROPANAMINIUM, 3-CARBOXY-2-HYDROXY-N,N,N-TRIMETHYL-, INNER SALT, (2S)-RefChem:130511L-I3-Trimethyl-I2-hydroxybutyrobetaine1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, (S)-(9CI)625-884-0

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

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)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

독성 정보

Exposure RoutesIntravenous, Oral. Absolute bioavailability is 15% (tablets or solution). Time to maximum plasma concentration was found to be 3.3 hours.
Toxicity Summary · 1건

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.

Signs and SymptomsAdverse effects include hypertension, fever, tachycardia and seizures.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLD<sub>50</sub> > 8g/kg (mouse, oral).

안전 데이터

wgk
3
rtecs
BP2979850
HS 번호
29391900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

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 · 1건

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 · 1건

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

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]

추가 설명

정의ChEBI: The (S)-enantiomer of carnitine.

관련 반응

5건

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