曲安西龙

曲安西龙 基本信息
CAS号 124-94-7 分子式 C21H27FO6
分子量 394.43400 精确质量 　394.17900
PSA 　115.06000 LogP 　0.62050
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等价的CAS号：

124-94-7,7719-65-5,7719-67-7
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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：
124-94-7
3D弹球模型：
立即前往扯扯看
分子式：
C21H27FO6
分子量：
394.43400
中文名称：
曲安西龙
英文名称：
triamcinolone
中文别名：
曲安西龙;
氟羟泼尼松龙;
曲安奈德;
9a-氟-11b,16a,17a,21-四羟基-1,4-孕烯-3,20-二酮;
9α-Fluoro-11β,16α,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione
英文别名：
triamcinolone;
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;
Triamcinolone
精确分子量/精确质量：
394.17900
极性分子表面积/PSA：
115.06000
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：
MFCD00010477
EINECS：
204-718-7
PubChem：
24278749
InChI：
InChI=1/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13?,14?,15-,16+,18+,19+,20+,21+/m1/s1

生产制备方法及用途展开↓

制备方法

用于系统性红斑性狼疮、风湿性疾病、肾病综合症等免疫性肾脏疾病、特发性血小板减少性紫癜等免疫性血液病以及醋酸泼尼松所适应的其他疾病。

用途简介

用途

用途：适用于类风湿性关节炎、其它结缔组织疾病、支气管哮喘、过敏性皮炎、神经性皮炎、湿疹等，尤适用于对皮质激素禁忌的伴有高血压或浮肿的关节炎患者。

物化性质展开↓

外观与性状：
白色至灰白色结晶粉末
密度：
1.42g/cm3
熔点：
262-263 °C(lit.)
沸点：
587.5ºC at 760mmHg
闪点：
309.1ºC
折射率：
1.617
蒸汽压：
3E-16mmHg at 25°C
存储条件/存储方法：

贮存：室温密封存放

稳定性相关：

基本性质：肾上腺皮质激素及促肾上腺皮质激素药。

其它信息：

1.性状：白色或近白色结晶性粉末，无臭，味苦

2.溶解性：微溶于水，稍溶于乙醇、氯仿、乙醚等

安全信息展开↓

海关代码：
2937229000
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R40
安全说明：
S22-S36
RTECS号：
TU3850000
安全标志：
S22:不要吸入粉尘。
S36:穿戴合适的防护服装。
危险标志：
Xn:Harmful

合成路线查看所有的合成路线

  • 338-95-4

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    96670-24-5

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化学图谱

  1. 曲安西龙红外图谱(IR1)

  2. 曲安西龙红外图谱(IR2)

  3. 曲安西龙质谱(MS)

  4. 曲安西龙核磁图(13CNMR)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU3850000
CHEMICAL NAME :
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-
CAS REGISTRY NUMBER :
124-94-7
BEILSTEIN REFERENCE NO. :
2341955
LAST UPDATED :
199710
DATA ITEMS CITED :
20
MOLECULAR FORMULA :
C21-H27-F-O6
MOLECULAR WEIGHT :
394.48
WISWESSER LINE NOTATION :
L E5 B666 OV KU MUTJ A1 BF CQ E1 FV1Q FQ GQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
1200 ug/kg
TOXIC EFFECTS :
Musculoskeletal - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
99 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
105 mg/kg/6W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - urine volume increased Blood - other changes Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
12600 ug/kg
SEX/DURATION :
female 1-39 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1 gm/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - abortion
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1 gm/kg
SEX/DURATION :
female 9-13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - stillbirth
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
10 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
20 mg/kg
SEX/DURATION :
female 13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 8-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
10 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
30 mg/kg
SEX/DURATION :
female 63-65 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - blood and lymphatic systems (including spleen and marrow)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
4 mg/kg
SEX/DURATION :
female 13-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10500 ug/kg
SEX/DURATION :
female 15-16 week(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - behavioral Reproductive - Effects on Newborn - physical
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
2 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

MUTATION DATA

TEST SYSTEM :
Human
DOSE/DURATION :
428 ug/kg
REFERENCE :
ARDEAC Archives of Dermatology. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.82- 1960- Volume(issue)/page/year: 103,39,1971 *** REVIEWS *** TOXICOLOGY REVIEW AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 96,985,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2730 No. of Facilities: 174 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 174 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2730 No. of Facilities: 98 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 2926 (estimated) No. of Female Employees: 2097 (estimated)

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      Triamcinolone    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H351:        Suspected of causing cancer    
    P281:        Use personal protective equipment as required    
Section 3. Composition/information on ingredients.
    Ingredient name:        Triamcinolone    
    CAS number:        124-94-7    
Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    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.
    Storage:        Store in closed vessels, refrigerated.    
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
    Not specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C21H27FO6    
    Molecular weight:        394.4    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride.
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

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：97.14

2、   摩尔体积（cm3/mol）：277.3

3、   等张比容（90.2K）：789.3

4、   表面张力（dyne/cm）：65.5

5、   极化率（10-24cm3）：38.51

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:4

3.氢键受体数量:7

4.可旋转化学键数量:2

5.互变异构体数量:9

6.拓扑分子极性表面积115

7.重原子数量:28

8.表面电荷:0

9.复杂度:807

10.同位素原子数量:0

11.确定原子立构中心数量:8

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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