기본 정보
- CAS
71060-58-7- 표준 SMILES
CCCCCCCCCCCCCCCC(=O)NCCO- InChIKey
HXYVTAGFYLMHSO-UHFFFAOYSA-N- 분자식
- C18H37NO2
- 평균 분자량
- 299.5 g/mol
개요
Palmitoyl ethanolamide is an N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid. It has a role as an anti-inflammatory drug, an anticonvulsant, an antihypertensive agent and a neuroprotective agent. It is a N-(long-chain-acyl)ethanolamine, an endocannabinoid and a N-(saturated fatty acyl)ethanolamine. It is functionally related to a hexadecanoic acid.
이름 및 식별자
- 우선 이름
- Palmitoylethanolamide
- IUPAC
- N-(2-hydroxyethyl)hexadecanamide
- 현지명
- 아미드,C16-18및C18-분지형,불포화,N-(히드록시에틸)
- 영어명
- Amides, C16-18 and C18-branched, unsatd., N-(hydroxyethyl)
- 분자식
- C18H37NO2
- 분자량
- 299.49188
이름 및 동의어
PalmitoylethanolamidePalmidrol544-31-0N-(2-Hydroxyethyl)hexadecanamidePalmitoyl ethanolamidePalmitic acid monoethanolamideHydroxyethylpalmitamideLoramine P 256palmitylethanolamidePalmidrolumLevagenPalmdrol prodes
이름 더 보기
아미드,C16-18및C18-분지형,불포화,N-(히드록시에틸)Amides, C16-18 and C18-branched, unsatd., N-(hydroxyethyl)
Monoethanolamine palmitic acid amidepalmitic monoethanolamidePalmitinsaeure-beta-hydroxyethylamidAnandamide (16:0)hexadecanoyl ethanolamideN(2-hydroxyethyl)palmitide6R8T1UDM3VN(2-hydroxyethyl) palmitide
데이터베이스 식별자
- CAS
71060-58-7- ChEMBL
CHEMBL417675- ChEBI
CHEBI:71464- UNII
- 6R8T1UDM3V
- EC Number
- 208-867-9
- Nikkaji
- J6.414I
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 49.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 219
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl ethanolamines (endocannabinoids) [FA0804]
Cosmetics
Cosmetic ingredients (Palmitamide MEA) -> CIR (Cosmetic Ingredient Review)
Personal care product
Antistatic; Foam boosting; Viscosity controlling
Melting Point98.5 °C
Physical Description
Other Solid
Solid
Collision Cross Section
189.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
189.87 Ų [M+H]+ [CCS Type: TIMS; Method: single field calibrated]
물리화학적 성질
- EPA
- 16 · Amides, C16-18 and C18-branched, unsatd., N-(hydroxyethyl) (71060-58-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (4 of 162) of reports.
Danger
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 162 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Hexadecanamide, N-(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecanamide, N-(2-hydroxyethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 12-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23420
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
독성 정보
Toxicity Summary
The CIR Expert Panel concluded that the ethanolamides listed subsequently are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating. The Expert Panel cautioned that these ingredients should not be used in cosmetic products in which N-nitroso compounds may be formed...Palmitamide MEA...
Safe for use in cosmetics, with qualifications
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds that interact with and stimulate the activity of CANNABINOID RECEPTORS.
Tissue LocationsPlacenta
Cellular LocationsExtracellular
용도 및 제조
UsesCIR ingredient: Palmitamide MEA
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Use ClassificationCosmetics -> Antistatic; Foam boosting; Viscosity controlling
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Hexadecanamide, N-(2-hydroxyethyl)-: ACTIVE
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