carbenoxolone | 5697-56-3

• 物质功能分类: 原料药 - 消化系统用药 - 抗酸及胃黏膜保护药
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: carbenoxolone
• 英文别名: Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, (3beta,20beta)-；10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
• CAS: 5697-56-3；14605-08-4
• 化学式: C₃₄H₅₀O₇
• 分子量: 570.767
• InChiKey: OBZHEBDUNPOCJG-UHFFFAOYSA-N

物化性质

• 熔点：
  291-294 °C
• 比旋光度：
  D20 +128° (chloroform)
• 沸点：
  553.75°C (rough estimate)
• 密度：
  1.20
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 稳定性/保质期：

  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。它可以制成抗炎抗过敏制剂，用于治疗风湿性关节炎和气喘。甘草次酸是经典的抗炎药物，将其应用于化妆品中可以调节皮肤的免疫功能，增强皮肤的抗病能力，消除炎症并预防过敏。

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• WGK Germany：
  3
• 海关编码：
  2938909030
• 安全说明：
  S26,S36,S37/39
• 危险类别码：
  R36/37/38
• 储存条件：
  请将药品存放在避光、阴凉干燥处，并密封保存。

SDS

Material Safety Data Sheet

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

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

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

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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.

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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.

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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.

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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:

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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.

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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

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

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

简介

甘草次酸是甘草提取物的深加工系列产品之一。作为常用中药，甘草广泛应用于医药、烟草和食品等领域。其主要有效成分甘草酸具有促肾上腺皮质激素样作用，可用于解毒、抗炎、镇咳及抗肿瘤等。甘草酸在人体中经胃酸水解或肝中β-葡萄糖醛酸酶分解形成甘草次酸。

应用

甘草酸的药理作用主要是通过其衍生物甘草次酸来实现的。近年来的研究发现，甘草酸及其衍生物具有抗炎、抗溃疡、抗过敏、抗病毒、降血脂、镇咳、平喘及祛痰等功效。此外，它们还可用于防治病毒性肝炎、高血脂症和癌症等疾病。中国是甘草的主要出口国之一，开展甘草的深加工和综合利用对推动行业具有重要意义。

制备

甘草酸的制备过程如下：取含有约25%甘草酸的甘草酸粉140克，加入1120毫升95%食用乙醇，在40℃条件下提取3小时。过滤去除不溶性杂质后，将滤液进行蒸馏回收乙醇，得到含水量不超过20%的干提取物。随后粉碎100克干提取物，并将其与300毫升70%冰醋酸和7毫升浓硫酸混合，在常压条件下进行水解及乙酰化反应，升温至98～103℃，反应2小时后冷却至室温，过滤并用250毫升65%醋酸洗涤滤饼。再用200毫升乙醇洗一次，最后用水洗一次，在100℃下干燥，得到乙酰甘草次酸粗品20.21克，纯度为88.2%（HPLC）。

接着，取20克乙酰甘草次酸加入300毫升水中，并用5克氢氧化钠调整pH至13，在常压条件下回流水解4小时。降至室温后，用盐酸将pH调至5.2并过滤洗涤滤饼，除去无机盐后在100℃下干燥，得到17.8克甘草次酸粗品，纯度为92.9%（HPLC）。再将此粗品溶解于214毫升体积百分比浓度为95%乙醇中，并加入甘草次酸粗品重量的25%（4.45克）活性炭进行回流脱色。脱色后过滤，滤液回收乙醇后析出固体并过滤，得到纯度为98.2%（中和法）的甘草次酸16.4克。为进一步纯化，用95%乙醇重结晶三次，最终获得纯度为98%，总杂质峰不超过2%，单一杂质峰不超过0.7%，完全符合欧洲药典标准。

作用原理

甘草次酸具有抗菌消炎、抗氧化、抗衰老、吸收紫外线、美白亮肤及祛斑等功效。它可调节皮肤免疫功能，增强皮肤的抵抗力，并能消除炎症和预防过敏。此外，它还能清洁皮肤以防止黑色素生成，从而达到美白的效果。

类别

有毒物品

毒性分级：高毒

急性毒性：

• 口服 - 大鼠 LD50: 2450 毫克/公斤
• 腹腔 - 大鼠 LD50: 128 毫克/公斤

可燃性危险特性：燃烧产生刺激烟雾；药物副作用包括肌肉无力、软弱无力、麻痹及瘫痪。

储运特性：通风低温干燥

灭火剂：干粉、泡沫、沙土、二氧化碳或雾状水

文献信息

• ANTIPERSPIRANT
  申请人：Mandom Corporation

  公开号：EP3777824A1

  公开（公告）日：2021-02-17

  Provided is an antiperspirant which serves to control secretion of sweat secreted from sweat glands and is capable of doing so by acting on sweat glands without closing sweat pores, the antiperspirant containing, as an active ingredient to control secretion of sweat secreted from sweat glands, at least one type of pentacyclic compound selected from the group consisting of compounds represented by formula (I): and derivatives thereof, and compounds represented by formula (VII): and derivatives thereof.

  本发明提供了一种止汗剂，该止汗剂可控制汗腺分泌的汗液，并且能够在不封闭汗孔的情况下作用于汗腺，作为控制汗腺分泌汗液的活性成分，该止汗剂含有至少一种五环化合物，该化合物选自由式（I）代表的化合物组成的组： 及其衍生物，以及式 (VII) 所代表的化合物： 及其衍生物。
• [EN] ANTIPERSPIRANT<br/>[FR] ANTI-TRANSPIRANT<br/>[JA] 制汗剤
  申请人：MANDOM CORP

  公开号：WO2019188486A1

  公开（公告）日：2019-10-03

  汗孔を閉塞させなくても、汗腺に作用して汗の分泌を制御することができる、汗腺による汗の分泌を制御するための制汗剤であって、式（Ｉ）で表される化合物、その誘導体、式（ＶＩＩ）で表される化合物及びその誘導体からなる群より選ばれた少なくとも１種の五環式化合物を汗腺による汗の分泌を制御するための有効成分として含有する制汗剤を提供する。