(11β,16β)-9-Chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione (11beta,16beta)-9-氯-11-羟基-16-甲基-17,21-双(1-氧代丙氧基)孕-1,4-二烯-3,20-二酮

CAS 5534-09-8 MFCD00135613

化学结构图

5534-09-8
SMILES: CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C

化学属性

Mol. FormulaC28H37ClO7
Mol. Weight521.04
SolubilitySoluble in Dichloromethane, Ethyl Acetate and Methanol
Appearance 白色粉末。
Melting Point205-209°C
Boiling Point630.5°C at 760 mmHg
Flash Point335.1°C

别名和识别编码

Chemical Name(11β,16β)-9-Chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)pregna-1,4-diene-3,20-dione
CAS Number5534-09-8
Synonym Beclometasone dipropionate {LY} Beclometasone dipropionate {} {LY} Beclometasone dipropionate {} {} {LY} Beclometasone dipropionate {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Beclometasone dipropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00135613
EC Number226-886-0
Chemical Name Translation(11beta,16beta)-9-氯-11-羟基-16-甲基-17,21-双(1-氧代丙氧基)孕-1,4-二烯-3,20-二酮
Reaxys-RN3638107
Merck Number1019
PubChem Substance ID21700
Wiswesser Line NotationL E5 B666 OV AHTTT&J A1 BG CQ E1 FV1Q GQ
LabNetwork Molecule IDLN01274254
InChIInChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
Canonical SMILESC[C@@]12[C@](C[C@H](C)[C@]2(OC(CC)=O)C(COC(CC)=O)=O)([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C1)=O
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分类

  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, B, BA - BH, Chemical Structure, Chromatography, Drugs & Metabolites, Drugs of Abuse, Forensic and Veterinary Standards, Neat Compounds, Others
  • {SNA} Alphabetic, Analytical Standards, Analytical/Chromatography, B, BA - BH, Chemical Structure, Chromatography, Drugs & Metabolites, Drugs of Abuse, Forensic and Veterinary Standards, Neat Compounds, Others
  • {SNA} Analytical Standards, Chemical Structure,
  • {SNA} Additional Standards,

产品应用

  • A corticosteroid

相关文献及参考

  • [2]. M Corbel, et al. Comparative effects of betamethasone, cyclosporin and nedocromil sodium in acute pulmonary inflammation and metalloproteinase activities in bronchoalveolar lavage fluid from mice exposed to lipopolysaccharide. Pulm Pharmacol Ther. 1999;12(3):165-71.
  • Laube, B., et al.: J. Allergy Clin. Immunol., 101, 475 (1998),
  • Merck 14 ,1019
  • [1]. Paola Lovato, et al. Calcipotriol and betamethasone dipropionate exert additive inhibitory effects on the cytokine expression of inflammatory dendritic cell-Th17 cell axis in psoriasis. J Dermatol Sci. 2016 Mar;81(3):153-64.
  • [1]. Paola Lovato, et al. Calcipotriol and betamethasone dipropionate exert additive inhibitory effects on the cytokine expression of inflammatory dendritic cell-Th17 cell axis in psoriasis. J Dermatol Sci. 2016 Mar;81(3):153-64.
  • [2]. M Corbel, et al. Comparative effects of betamethasone, cyclosporin and nedocromil sodium in acute pulmonary inflammation and metalloprote

安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P308+P313
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard statements
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
Hazard Codes T
RTECSTU3805000
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
  • R60 May impair fertility 可能降低生殖能力
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 5,1037,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,746,1982

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >51600 ug/m3/2H
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - muscle contraction or spasticity
REFERENCE :
   JZKEDZ Jitchuken Zenrinsho Kenkyuho.  Central Institute for Experimental
   Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa,
   Takatsu-ku, Kawasaki 211, Japan)  V.1-    1975-  Volume(issue)/page/year:
   2,97,1976

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >750 mg/kg
TOXIC EFFECTS :
   Liver - other changes
   Kidney, Ureter, Bladder - other changes
REFERENCE :
   YIKUAO Yamaguchi Igaku.  Yamaguchi Medicine.  (Yamaguchi Daigaku Igakkai,
   Kogushi Ube, Yamaguchi- Ken, Japan)  V.1-    1953-

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1600 ug/kg
SEX/DURATION            : male 9 week(s) pre-mating
                          female 2 week(s) pre-mating  - 7 day(s) after
                          conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 18,1003,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 16 mg/kg
SEX/DURATION            : male 9 week(s) pre-mating
                          female 2 week(s) pre-mating  - 7 day(s) after
                          conception
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 72 mg/kg
SEX/DURATION            : female 7-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - sex ratio
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.

其他信息

  • Sigma Aldrich:5534-09-8(sigmaaldrich)
  • 毒性分级:中毒
  • 急性毒性:口服-大鼠 LD50: >;3750 毫克/公斤; 口服-小鼠 LD50: >;5000 毫克/公斤
  • MOL 文件:5534-09-8.mol
  • 可燃性危险特性:易燃; 燃烧产生有毒氯化物烟雾
  • Beclometasone二丙酸盐是糖皮质素激动剂,为beclometasone游离形式的原药。
  • 储运特性:库房通风低温干燥; 与食品原料分开存放
  • 用途一:肾上腺皮质激素类药,可用于治疗各种炎症皮肤病。
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类


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