腺嘌呤黄素

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

腺嘌呤黄素 基本信息

中文名称:
腺嘌呤黄素 
中文别名:
腺嘌呤黄素;
核黄素-5'-腺苷二磷酸,RIBOFLAVIN-5'-ADENOSINE-DIPHOSPHATE;
黄素腺嘌呤二核苷酸 
英文名称:
Riboflavin5'-(trihydrogen diphosphate), P'®5'-ester with adenosine
英文别名:
Riboflavin 5'-(trihydrogen diphosphate), P'→5'-ester with adenosine;
Adenosine 5'-(trihydrogen pyrophosphate), 5'→5'-ester with riboflavine (8CI);
Benzo[g]pteridine, riboflavin 5'-(trihydrogen diphosphate) deriv.;
Riboflavine, 5'-ester with adenosine 5'-diphosphate (8CI);
Adenine-flavin dinucleotide;
Adenine-flavine dinucleotide;
Adenine-riboflavin dinucleotide;
Adenine-riboflavine dinucleotide;
FAD;
Fademin;
Flavin adenin dinucleotide;
Flavin-adenine dinucleotide;
Flavinat;
Flavine adenosine diphosphate;
Flavine-adenine dinucleotide;
Flavitan;
NSC 112207;
Riboflavin 5'-adenosine diphosphate;
Riboflavin-adenine dinucleotide;
Riboflavine-adenine dinucleotide 
CAS No.:
146-14-5
分 子 式:

C27H33N9O15P2

分 子 量:
785.55
精确分子量:
785.15714
PSA:
382.55000
EINECS:
282-733-8
InChI:
The Key: IZOFYEQBIIIEMB-WQLILBPHSA-L
危险品标志:

 

风险术语:

 

安全术语:

 

分子结构式:
SDS:
查看

腺嘌呤黄素 制备方法及用途

制备方法

1.适用于皮肤黏膜疾患、神经性耳鸣、脑动脉硬化、顽固性头痛、肝硬化、黄疸及其他肝病、眼疾、视网膜疾患。静注过快可见暂性胸部不适。

合成制备方法

 

用途简介

用途

 1.适用于皮肤黏膜疾患、神经性耳鸣、脑动脉硬化、顽固性头痛、肝硬化、黄疸及其他肝病、眼疾、视网膜疾患。静注过快可见暂性胸部不适。

腺嘌呤黄素 物化性质

外观与性状:
固体
密度:
2.08g/cm3
存储条件/存储方法:

-20 ºC条件下保存。

稳定性相关:

常温常压下稳定。

其它信息:

一、物性数据:

1.      性状:橙黄色粉末

2.      溶解性:易溶于水,不溶于乙醇,水溶液呈黄绿色荧光,遇碱分解为核黄素。

腺嘌呤黄素 安全信息

WGK_Germany:
3
德国有关水污染物质的分类清单
RTECS号:
AU7470000

腺嘌呤黄素 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AU7470000
CHEMICAL NAME :
Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine
CAS REGISTRY NUMBER :
146-14-5
BEILSTEIN REFERENCE NO. :
0078150
LAST UPDATED :
199806
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C27-H33-N9-O15-P2
MOLECULAR WEIGHT :
785.63
WISWESSER LINE NOTATION :
DT56 BN DN FN HNJ IZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>7 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1124,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
589 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1124,1995 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3863 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 29 (estimated) No. of Female Employees: 22 (estimated)
毒理学数据:

二、毒理学数据:

1、急性毒性:

小鼠经口LC50:>7 gm/kg;

小鼠静脉LC50:589 mg/kg.

生态数据:

三、生态学数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

腺嘌呤黄素 MSDS

Name: Flavine-adenine dinucleotide, 96% (uv-vis) Material Safety Data Sheet
Synonym: Adenine-riboflavin dinucleotide; Flavine Adenosine Diphosphate; Isoalloxazine-adenine dinucleotide; FAD.
CAS: 146-14-5
Section 1 - Chemical Product MSDS Name: Flavine-adenine dinucleotide, 96% (uv-vis) Material Safety Data Sheet
Synonym: Adenine-riboflavin dinucleotide; Flavine Adenosine Diphosphate; Isoalloxazine-adenine dinucleotide; FAD.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
146-14-5 Flavine-adenine dinucleotide 96.0 205-663-1
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. 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. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:
Antidote: None reported.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.
SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 146-14-5: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C27H31N9Na2O15P2
Molecular Weight: 829.1955
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
None reported.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of phosphorus, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 146-14-5: AU7470000
LD50/LC50:
CAS# 146-14-5: Oral, mouse: LD50 = >7 gm/kg.
Carcinogenicity:
Flavine-adenine dinucleotide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
SECTION 12 - ECOLOGICAL INFORMATION Other No information available.
SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.
SECTION 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
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. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 146-14-5: No information available. Canada CAS# 146-14-5 is listed on Canada's NDSL List. CAS# 146-14-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 146-14-5 is listed on the TSCA inventory.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 1/06/1999 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

腺嘌呤黄素 分子结构与计算化学数据

分子结构数据

 

五、分子性质数据:

1、  摩尔折射率:168.11

2、  摩尔体积(cm3/mol):376.2

3、  等张比容(90.2K):1230.5

4、  表面张力(dyne/cm):114.4

5、  极化率(10-24cm3):66.64

计算化学数据

四、计算化学数据:

1、   疏水参数计算参考值(XlogP):-5

2、   氢键供体数量:9

3、   氢键受体数量:21

4、   可旋转化学键数量:13

5、   拓扑分子极性表面积(TPSA):356

6、   重原子数量:53

7、   表面电荷:0

8、   复杂度:1560

9、   同位素原子数量:0

10、   确定原子立构中心数量:7

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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