C18디하이드로세라마이드

Ceramide NG

HCID 5283573

기본 정보

CAS: 2304-80-5
표준 SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChIKey: KZTJQXAANJHSCE-OIDHKYIRSA-N
분자식: C36H73NO3
평균 분자량: 568 g/mol
단동위원소 질량: 567.5590452

개요

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.

이름 및 식별자

우선 이름: Ceramide NG
IUPAC: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]octadecanamide
현지명: C18디하이드로세라마이드
영어명: C18 Dihydroceramide
분자식: C36H73NO3
분자량: 567.97

이름 및 동의어

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*))-

이름 더 보기

C18디하이드로세라마이드C18 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

물성

구조 계산 물성

XLogP: 14.5
극성 표면적: 69.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 33
무거운 원자 수: 40
형식 전하: 0
복잡도: 498

실험 및 물리화학적 성질

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

Cosmetics · 5건

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 · 3건

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]

물리화학적 성질

녹는점: 104 · 104-106°C
끓는 점: 694.8 · 694.8±45.0 °C(Predicted)
밀도: 0.909 · 0.909±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: DMSO: Soluble; Ethanol: Warmed
물리적 상태

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

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

독성 정보

Toxicity Summary · 3건

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

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Uses · 3건

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

응용 분야

용도C18 Dihydroceramide can be used for ceramide composition with repairing function and cosmetic.

공급사50 곳

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]

화합물 노트

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기본 정보

CAS: 2304-80-5
표준 SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChIKey: KZTJQXAANJHSCE-OIDHKYIRSA-N
분자식: C36H73NO3
평균 분자량: 568 g/mol
단동위원소 질량: 567.5590452

개요