甘草次酸,CAS号:5697-56-3,msds,分子式-找单词

英语词典化工词典

carbenoxolone

中文别名：甘草次酸
中文释义：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
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
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+;
分子结构式：

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。

安全信息

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。

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LD50：2450mg/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

MSDS

Material Safety Data Sheet
Section1. Identiﬁcation of the substance
Product Name:Carbenoxolone
Synonyms:
Section2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.
Section3. Composition/information on ingredients.
Ingredient name:Carbenoxolone
CAS number:5697-56-3
Section4. 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.
Section5. 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.
Section6. 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.
Section7. 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:
Section8. 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.
Section9. 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
Section10. Stability and reactivity
Conditions to avoid: Heat, ﬂames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.
Section11. Toxicological information
No data.
Section12. Ecological information
No data.
Section13. 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.
Section14. Transportation information
Non-harzardous for air and ground transportation.
Section15. 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

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/mol）：475.4

3、等张比容（90.2K）：1273.2

4、表面张力（dyne/cm）：51.4

5、极化率（10^-24cm³）：61.12

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

carbenoxolone

carbenoxolone

物化性质

安全信息

毒理性

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MSDS

分子结构与计算化学数据

分子结构数据

计算化学数据

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