2304-81-6 (N-硬脂酰神经鞘氨醇,C18 Ceramide)

快速询单

结构式：

N-硬脂酰神经鞘氨醇MOL文件

CAS号：

2304-81-6

中文名称：

N-硬脂酰神经鞘氨醇

英文名称：

C18 Ceramide

分子式：

C₃₆H₇₁NO₃

分子量：

565.953851938248

N-硬脂酰神经鞘氨醇(2304-81-6)名称与标识符

名称

中文别名：

N-硬脂酰神经鞘氨醇;(2R,3R,4E)-硬脂酰鞘氨醇;1-苯基吡咯;

英文别名：

Octadecanamide,N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-;C18 Ceramide;N-stearoyl-D-erythro-sphingosine;CERAMIDE;(2S,3R,4E)-2-(N-stearoylamino)-4-octade;18:0 CERAMIDE;C18 DIHYDROCERAMIDE;C18-D-ERYTHRO-CERAMIDE;ceramide c18;N-((2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide;N-((2S,3R,E)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide;N-(octadecanoyl)-sphing-4-enine;N-18:0 SPHINGANINE;N-Stearoyl-D-sphingosine;N-STEAROYLSPHINGANINE;N-stearoylsphingosine;STEAROYL CERAMIDE;(2S,3R,4E)-2-(Stearoylamino)-4-octadecene-1,3-diol;N-Octadecanoyl-D-sphingosine;N-[(1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]octadecanamide;C18-Ceramide;C18 Ceramide (d18:1/18:0);Cer(d18:1/18:0);2304-81-6;N-stearoylsphing-4-enine;AKOS040754845;Ceramide (d18:1/18:0);N-(octadecanoyl)ceramide;C18 Cer;rel-N-((2S,3R,E)-1,3-Dihydroxyoctadec-4-en-2-yl)stearamide;CHEBI:72961;(2S, 3R, 4E)-2-(N-stearoylamino)-4-octadecene-1,3-diol;BP-28817;N-(stearoyl)-ceramide;V3Q7C63KSS;CMC_12037;C18 Ceramide (d18:1/18:0), N-stearoyl-D-erythro-sphingosine, powder;N-Stearoyl-D-sphingosine, >=98.0% (TLC);104404-17-3;Ceramide (Egg);DB-231033;octadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-;N-Stearoyl ceramide (synthetic), C18-Ceramide (synthetic);J-014959;Q27140214;N-stearoyl sphingosine;DTXSID001317818;HY-100355;N-(octadecanoyl)-ceramide;N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]octadecanamide;N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide;N-((E,2s,3r)-1,3-Dihydroxyoctadec-4-En-2-Yl)stearamide;N-octadecanoylsphingosine;N-(stearoyl)ceramide;CS-0018669;N-octadecanoylsphing-4-enine;G91463;(2S,3R,4E)-2-(N-stearoylamino)-4-octadecene-1,3-diol;N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide;SCHEMBL760704;CMC_12704;Octadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-;N-(octadecanoyl)sphing-4-enine;AS-75860;Ceramide 18;D-erythro-1,3-Dihydroxy-2-octadecanoylamido-trans-4-octadecene;N-Octadecanoylsphingosine;N-Stearoyl-C18-sphingosine;N-Stearoyl-D-erythro-sphingosine;136846-30-5;LMSP02010006;

标识符

MDL：

MFCD02259139

InChIKey：

VODZWWMEJITOND-NXCSZAMKSA-N

Inchi：

InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)

SMILES：

CCCCCCCCCCCCCC=CC(C(NC(CCCCCCCCCCCCCCCCC)=O)CO)O

N-硬脂酰神经鞘氨醇(2304-81-6)物化性质

实验特性

LogP : 10.73410
PSA : 69.56000
折射率 : 1.6630 (estimate)
沸点 : 630.97°C (rough estimate)
熔点 : 99-101 °C
颜色与性状 : 白色粉末
稳定性 : Stable, but may be heat sensitive - store below 4 C. Incompatible with strong oxidizing agents.
溶解性 : 不溶于水
密度 : 0.9512 (rough estimate)

计算特性

精确分子量 : 565.54300
氢键供体数量 : 3
氢键受体数量 : 3
可旋转化学键数量 : 32
同位素质量 : 565.54339513g/mol
重原子数量 : 40
复杂度 : 536
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 1
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 13.9
互变异构体数量 : 2
表面电荷 : 0
拓扑分子极性表面积 : 69.6Å²

N-硬脂酰神经鞘氨醇(2304-81-6)安全信息

WGK Germany： 3
安全说明： S24/25
危险品运输编号： NONH for all modes of transport
储存条件： −20°C

N-硬脂酰神经鞘氨醇(2304-81-6)海关数据

海关编码：

29225000

N-硬脂酰神经鞘氨醇(2304-81-6)推荐厂家更多厂家(33)

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N-硬脂酰神经鞘氨醇(2304-81-6)参考资料

Beilstein：

1717539

PubChem CID：

329751672

N-硬脂酰神经鞘氨醇(2304-81-6) MSDS

基础信息

Name:	N-Stearoyl-D-erythro-spinghosine synthetical 99+% Material Safety Data Sheet
Synonym:	Ceramide C1
CAS:	2304-81-6

Section 1 - Chemical Product ? MSDS Name:N-Stearoyl-D-erythro-spinghosine synthetical 99+% Material Safety Data Sheet
Synonym:Ceramide C1

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2304-81-6	N-Stearoyl-D-erythro-spinghosine, synt	99+%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Deep freeze (below -20C). Keep refrigerated. (Store below 4C/39F.)

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2304-81-6: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 99 - 101 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 565.96

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 2304-81-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Stearoyl-D-erythro-spinghosine, synthetical - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2304-81-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2304-81-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2304-81-6 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A