甘草次酸

  • 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

甘草次酸 基本信息

中文名称:
甘草次酸 
中文别名:
甘珀酸;
3-(3-羧基-1-氧代丙氧基)-11-氧代齐墩果-12-烯-29-甲酸;
p-Toluenesulfonylacetonitrile;
2-chloro-N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide;
Ac-Gly-Gly-OH;
Z-Glutamic Acid-O Benzyl Ester;
(S)-2-Benzyloxycarbonylamino-pentanedioic acid 5-benzyl ester;
Cbz-L-glutamic acid 5-benzyl ester;
Cbz-Glu(OBzl)-OH;
Z-Glu(OBzl)-OH;
Glycine methyl ester hydrochloride Salt;
methyl glycinate hydrochloride (1:1);
2-methoxy-2-oxoethanaminium;
Glycine Methyl ester Hydrochoride;
Glyci 
英文名称:
carbenoxolone
英文别名:
Carbenoxolone;
bioral;
glycyrrhetinic acid hydrogen succinate;
2-Methylidene-2,3-dihydrofuran-3-one;
Carbenoxolon;
CARBENOXOLONE(RG);
biogastrone;
CARBENOXOLONE [U 
CAS No.:
5697-56-3
分 子 式:

C34H50O7

分 子 量:
570.76
精确分子量:
570.35600
PSA:
117.97000
EINECS:
227-174-2
InChI:
InChI=1/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23?,24-,27?,30+,31-,32-,33+,34+;
危险品标志:

 

风险术语:

 

安全术语:

 

分子结构式:
SDS:
查看

甘草次酸 制备方法及用途

制备方法

产品具有抗菌、抗肿瘤及肾上腺皮质激素样作用,可制成抗炎抗过敏制剂,用于治疗风湿性关节炎、气喘,甘草次酸是经典的抗炎药物,将其应用于化妆品中可调节皮肤的免疫功能,增强皮肤的抗病能力,消除炎症、预防过敏。

用途简介

甘草次酸 物化性质

外观与性状:
白色结晶粉末
密度:
1.20
熔点:
291-294 °C
沸点:
687.4ºC at 760 mmHg
闪点:
211.6ºC
存储条件/存储方法:
通风低温干燥
稳定性相关:

常温常压下稳定,具有抗菌、抗肿瘤及肾上腺皮质激素样作用,可制成抗炎抗过敏制剂,用于治疗风湿性关节炎、气喘,甘草次酸是经典的抗炎药物,将其应用于化妆品中可调节皮肤的免疫功能,增强皮肤的抗病能力,消除炎症、预防过敏。

甘草次酸 安全信息

海关代码:
2938909030
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38:Irritating to eyes, respiratory system and skin .
安全说明:
S26-S36-S37/39
危险标志:
Xi

甘草次酸 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RK0200000
CHEMICAL NAME :
Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, hydrogen succinate
CAS REGISTRY NUMBER :
5697-56-3
LAST UPDATED :
199712
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C34-H50-O7
MOLECULAR WEIGHT :
570.84
WISWESSER LINE NOTATION :
L F6 E6 B666 CV DUTJ A1 HVQ H1 K1 N1 O1 S1 S1 TOV2VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
120 mg/kg/56D-I
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - muscle weakness
REFERENCE :
BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 2,150,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
128 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1720 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4224327
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
290 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4363816
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1060 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
371 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1313 mg/kg
SEX/DURATION :
female 1-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Newborn - biochemical and metabolic
REFERENCE :
DBTGAJ Diabetologia. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1965- Volume(issue)/page/year: 39,1299,1996
毒理学数据:

1、急性毒性:

小鼠口服LD502450mg/kg,毒性作用的描述没有报告除此以外的其他致死剂量值。

生态数据:

燃烧产生刺激烟雾;药物副作用:肌肉无力,软弱无力,麻痹,瘫痪

甘草次酸 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      Carbenoxolone    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        Carbenoxolone    
    CAS number:        5697-56-3    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C34H50O7    
    Molecular weight:        570.8    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

甘草次酸 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:154.18

2   摩尔体积m3/mol475.4

3   等张比容(90.2K):1273.2

4   表面张力dyne/cm51.4

5   极化率10-24cm361.12

计算化学数据

1、   疏水参数计算参考值(XlogP):6.4

2、   氢键供体数量:2

3、   氢键受体数量:7

4、   可旋转化学键数量:6

5、   互变异构体数量:5

6、   拓扑分子极性表面积(TPSA):118

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