C18ジヒドロセラミド

Ceramide NG

HCID 5283573

基本情報

CAS: 2304-80-5
標準SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChIKey: KZTJQXAANJHSCE-OIDHKYIRSA-N
分子式: C36H73NO3
平均分子量: 568 g/mol
単同位体質量: 567.5590452

概要

N-octodecanoylsphinganine is a dihydroceramide in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl). It has a role as a mouse metabolite. It is a N-stearoyl-sphingoid base and a N-acylsphinganine. It is functionally related to an octadecanoic acid.

名称と識別子

優先名称: Ceramide NG
IUPAC: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide
現地名: C18ジヒドロセラミド
英語名: C18 Dihydroceramide
分子式: C36H73NO3
分子量: 567.97

名称と別名

CERAMIDE NGn-stearoyl dihydrosphingosineCeramide 2Ceramide NSCeramide 2 pureC04977SRJ5(2S,3R)-2-(Octadecanoylamino)octadecane-1,3-diol1-stearoyl-C18-sphingosinepalmitoyl-c16-dihydrosphingosineOctadecanamide, N-((1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl)-Octadecanamide, N-(2-hydroxy-1-(hydroxymethyl)heptadecyl)-, D-erythro-Octadecanamide, N-(2-hydroxy-1-(hydroxymethyl)heptadecyl)-, (R-(R*,S*))-

名称をさらに表示

C18ジヒドロセラミドC18 Dihydroceramide (d18:0/18:0)Ceramide NG (NDS)C18 Dihydroceramide,Ceramide NGC18 dihydro Ceramide (d18:0/18:0) (Standard)C18 Dihydroceramide (d18:0/18:0)/Ceramide NGN-[(2S,3R)-1,3-Dihydroxy-2-octadecyl]stearamideN-stearoyl-D-erythro-sphinganine (C18 Dihydroceramide)N-[(1S,2R)-2-Hydroxy-1-(hydroxyMethyl)heptadecyl]octadecanaMideN-STEAROYL-D-ERYTHRO-SPHINGANINEC18 DIHYDROCERAMIDE (D18:0/18:0)

CERAMIDE TIC-001DTXSID50177594Octadecanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-RefChem:575148CERAMIDE NG [INCI]CERAMIDE NS [INCI]CERAMIDE 2 (RETIRED)DTXCID10100085

物性

構造計算による物性

XLogP: 14.5
極性表面積: 69.6 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 33
重原子数: 40
形式電荷: 0
複雑度: 498

実験および物理化学的性質

LipidsLipids -> Sphingolipids [SP] -> Ceramides [SP02] -> N-acylsphinganines (dihydroceramides) [SP0202]

Cosmetics · 5 件

Cosmetic ingredients (Ceramide 2) -> CIR (Cosmetic Ingredient Review)

Cosmetic ingredients (Ceramide NG) -> CIR (Cosmetic Ingredient Review)

Cosmetic ingredients (Ceramide NS) -> CIR (Cosmetic Ingredient Review)

Personal care product

Hair conditioning; Skin conditioning

Physical DescriptionSolid

Collision Cross Section · 3 件

259 Å² [M+HCOO]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

263.1 Å² [M+H]+ [CCS Type: TW; Method: calibrated with phosphatidylcholines (ESI+) and phosphatidylethanolamines (ESI-)]

261.92 Å² [M+H]+ [CCS Type: DT; Method: stepped-field]

物理化学的性質

融点: 104 · 104-106°C
沸点: 694.8 · 694.8±45.0 °C(Predicted)
比重(密度): 0.909 · 0.909±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: DMSO: Soluble; Ethanol: Warmed
外見: A crystalline solid

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Regulatory InformationChemical: Octadecanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-

毒性情報

Toxicity Summary · 3 件

Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

化学と産業

薬理情報

Cellular LocationsExtracellular

用途と製造

Uses · 3 件

CIR ingredient: Ceramide 2

CIR ingredient: Ceramide NG

CIR ingredient: Ceramide NS

Household ProductsInformation on 7 consumer products that contain Ceramide 2 in the following categories is provided:

Use ClassificationCosmetics -> Hair conditioning; Skin conditioning

応用分野

使用C18 Dihydroceramide can be used for ceramide composition with repairing function and cosmetic.

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]

化合物ノート

読み込み中…

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基本情報

CAS: 2304-80-5
標準SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChIKey: KZTJQXAANJHSCE-OIDHKYIRSA-N
分子式: C36H73NO3
平均分子量: 568 g/mol
単同位体質量: 567.5590452

概要