马钱子碱

马钱子碱 基本信息
CAS号 357-57-3 分子式 C23H26N2O4
分子量 394.46400 精确质量 　394.18900
PSA 　51.24000 LogP 　2.11260
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
357-57-3
3D弹球模型：
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分子式：
C23H26N2O4
分子量：
394.46400
中文名称：
马钱子碱
英文名称：
Brucine
中文别名：
马钱子碱;
10,11-二甲氧基马钱子碱;
布鲁辛;
布鲁生;
番木鳖碱
英文别名：
Brucine;
10,11-Dimethoxystrychnine;
BRUCINE FREE BASE;
BrucineGr;
Brucina;
brucine,anhydrous;
BRUCINE ALKALOID;
BrucineA.R.;
Brucin;
dimethoxystrychnine;
2,3-dimethoxy-strychnidin-10-one
精确分子量/精确质量：
394.18900
极性分子表面积/PSA：
51.24000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00005942
EINECS：
206-614-7
BRN：
63046
InChI：
InChI=1/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3

生产制备方法及用途展开↓

制备方法

1.存在于马钱科植物马钱(Strychnos nux-vomica L.)的根皮、叶及种子中。 2.用氢氧化钙溶液处理马钱子植物种子，然后用苯或甲苯进行萃取，将得到的生物碱转移至硫酸水溶液中，用碱溶液沉淀出混合生物碱，最后用50%乙醇溶液使其中的番木鳖碱结晶。

合成制备方法

1.存在于马钱科植物马钱(Strychnos nux-vomica L.)的根皮、叶及种子中。

2.用氢氧化钙溶液处理马钱子植物种子，然后用苯或甲苯进行萃取，将得到的生物碱转移至硫酸水溶液中，用碱溶液沉淀出混合生物碱，最后用50%乙醇溶液使其中的番木鳖碱结晶。

用途简介

生化研究。拆分试剂。 用作薄层色谱法检测溴酸盐，氯酸盐及硝酸盐的试剂。还用于分离外消旋混合物。 植物源杀虫剂，对蚜虫和菜青虫有触杀和胃毒作用。

用途

1. 生化研究。拆分试剂。

物化性质展开↓

外观与性状：
白色结晶粉末
密度：
1.41 g/cm3
熔点：
175-178 °C (dec.)(lit.)
沸点：
633.7ºC at 760 mmHg
闪点：
337.1ºC
折射率：
1.685
存储条件/存储方法：
库房通风低温干燥,与食品分开储运
稳定性相关：

1.与数种含氧酸反应产生有色物质。吸入时剧毒。可能致癌。

其它信息：

1.       性状：无色斜方结晶。味极苦。

2.       密度（g/mL,25/4℃）：1.36

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：178

5.       沸点（ºC,常压）：270

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：1.851

8.       闪点（ºC）：未确定

9.       比旋光度（º）：-121（氯仿中）

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：溶于水、沸水、乙醇、沸乙醇、氯仿、苯、甲苯、甲醇、甘油、戊醇，极微溶于乙醚和石油醚。

安全信息展开↓

包装等级：
I
风险类别：
6.1(a)
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R26/28;R52/53
安全说明：
S13-S45-S61
RTECS号：
EH8925000
安全标志：
S13:远离食品、饮料和动物饲料。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志：
T+: Very toxic;

合成路线查看所有的合成路线

  • 17301-81-4

    Brucine, N-oxide

  • →

    ~95%

  • 357-57-3

    番木鳖碱

  • 186581-53-3

    重氮甲烷

  • +

  • 19894-24-7

    2-hydroxystrychnidin-10-one

  • →

  • 357-57-3

    番木鳖碱

  • 509-52-4

    Strychninic acid

  • →

  • 357-57-3

    番木鳖碱

化学图谱

  1. 番木鳖碱核磁图(13CNMR)

  2. 番木鳖碱核磁图(1HNMR)

  3. 番木鳖碱红外图谱(IR1)

  4. 番木鳖碱红外图谱(IR2)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EH8925000
CHEMICAL NAME :
Brucine
CAS REGISTRY NUMBER :
357-57-3
LAST UPDATED :
199701
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C23-H26-N2-O4
MOLECULAR WEIGHT :
394.51
WISWESSER LINE NOTATION :
T6 G656 B7 C6 E5 D 5ABCEF A& FX MNV QO VN SU AH&&TTTTTJ IO1 JO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
91 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 131,185,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 35,295,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
62 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 35,295,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964- Volume(issue)/page/year: 7,329,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 35,295,1992
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB214-270
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
120 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB214-270
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
58 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84459 No. of Facilities: 109 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 150 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84459 No. of Facilities: 18 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 334 (estimated) No. of Female Employees: 119 (estimated)
毒理学数据：

 剧毒，半数致死量LD50:16mg/kg（大鼠，经口）、0.96mg/kg（大鼠，静脉缓慢注入）。

生态数据：

 

1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: Brucine Material Safety Data Sheet
Synonym: Non
CAS: 357-57-3
Section 1 - Chemical Product   MSDS Name:Brucine Material Safety Data Sheet
Synonym:Non
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
357-57-3 Brucine 100.0 206-614-7
Hazard Symbols: T+
Risk Phrases: 26/28
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Very toxic by inhalation and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. Poison by ingestion.
May cause tremors and convulsions.
Inhalation:
May cause respiratory tract irritation. May cause effects similar to those described for ingestion.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately. SPEED IS ESSENTIAL. A DOCTOR MUST BE NOTIFIED AT ONCE.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
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. Clean up spills immediately, observing precautions in the Protective Equipment section.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Avoid contact with skin and eyes. Do not ingest or inhale. Use only in a chemical fume hood.
Storage:
Poison room locked.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 357-57-3: 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 and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 176.00 - 178.00 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:
Specific Gravity/Density:
Molecular Formula: C23H26N2O4
Molecular Weight: 394.46
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 357-57-3: EH8925000 LD50/LC50:
CAS# 357-57-3: Oral, mouse: LD50 = 150 mg/kg.
Carcinogenicity:
Brucine - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
USA RQ: CAS# 357-57-3: 100 lb final RQ; 45.4 kg final RQ
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 26/28 Very toxic by inhalation and if swallowed.
Safety Phrases:
S 1 Keep locked up.
S 13 Keep away from food, drink and animal feeding
stuffs.
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# 357-57-3: 3
Canada
CAS# 357-57-3 is listed on Canada's DSL List.
CAS# 357-57-3 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 357-57-3 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：105.88

2、   摩尔体积（cm3/mol）：278.3

3、   等张比容（90.2K）：791.3

4、   表面张力（dyne/cm）：65.3

5、   极化率（10-24cm3）：41.97

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  • 17301-81-4

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