CAS 50-04-4 MFCD00003609-4-Pregnene-17a,21-diol-3,11,20-trione 21-acetate 21-乙酰氧基-17α-羟基孕甾-4-烯-3,11,20-三酮 TAO{mole}

4-Pregnene-17a,21-diol-3,11,20-trione 21-acetate 21-乙酰氧基-17α-羟基孕甾-4-烯-3,11,20-三酮

CAS 50-04-4 MFCD00003609

化学结构图

SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C

化学属性

Mol. Formula	C23H30O6
Mol. Weight	402.48
Melting Point	237-240
Appearance	D 20 白色针状结晶或结晶性粉末(丙酮)，无气味。在空气中稳定。Mp239- 241℃，比旋光度[α] 25 +208°-+217°(二氧六环)，本品的乙醇溶液在240nm波长处有最大吸收。易溶于氯仿(1：4)，溶于丙酮(1：75)，微溶于乙醇和乙醚，难溶于水。本品溶于硫酸呈黄色而无荧光(与醋酸氢化可的松相区别)。 +169°(氯仿)、[α] +164°(0.5%，丙酮)、[α] 23
Refractive index	212 ° (C=1, MeOH)
Solubility	DMSO 7 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
Density
Boiling Point

别名和识别编码

Chemical Name	4-Pregnene-17a,21-diol-3,11,20-trione 21-acetate
CAS Number	50-04-4
Synonym	Cortisone acetate {LY} Cortisone acetate {} {LY} Cortisone acetate {} {} {LY} Cortisone acetate {} {} {} {LY} Cortisone acetate {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cortisone acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number	MFCD00003609
PubChem Substance ID	5745
Beilstein Registry Number	2067543
EC Number	200-006-5
Reaxys-RN	2067543
Merck Number	2539
Chemical Name Translation	21-乙酰氧基-17α-羟基孕甾-4-烯-3,11,20-三酮
Wiswesser Line Notation	L E5 B666 CV OV MUTJ A1 E1 FV1OV1 FQ
LabNetwork Molecule ID	LN00238619
InChI	InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
Canonical SMILES	C[C@@]1(C2)[C@](C(COC(C)=O)=O)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3([H])C2=O)=O

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品牌质保精细包装现货库存一流品牌服务

产品应用

Cortisone Acetate is a glucocorticoid. Cortisone Acetate is an antiinflammatory agent. Cortisone Acetate is bioavailable and readily converted to the therapeutically active form, Hydrocotisone (H71461

安全信息

WGK Germany3

RTECSGM9140000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

GHS Symbol

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 35 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Vascular - tumors
   Musculoskeletal - tumors
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 33,1640,1977

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 5 gm/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 42,19,1977

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 5 gm/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 42,19,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 30 mg/kg
SEX/DURATION            : female 14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
   DEVPED Development (Cambridge, UK). (Biochemical society Book Depot, POB 32,
   Commerce Way, Colchester, Essex CO2 8HP, UK) V.99-   1987-
   Volume(issue)/page/year: 100,611,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 400 mg/kg
SEX/DURATION            : female 1-8 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)
REFERENCE :
   FESTAS Fertility and Sterility.  (American Fertility Soc., 608 13th Ave. S,
   Birmingham, AL 35282) V.1-    1950-  Volume(issue)/page/year: 28,464,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 56 mg/kg
SEX/DURATION            : male 14 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
   accessory glands
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 113,27,1955

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Ocul

UN Number

Hazard Codes

Signal word

Risk Statements

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。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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。
P302+P352
P304+P312
P304+P340
P308+P313
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
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
P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Packing Group

Hazard statements

H312 Harmful in contact with skin 皮肤接触有害
H332 Harmful if inhaled 吸入有害
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

其他信息

用途二:泼尼松醋酸酯的中间体。本身为抗炎剂。用于治疗肾上腺皮质低功能症、类风湿性关节炎、风湿病、红斑狼疮等病。
醋酸可的松价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0389 醋酸可的松 Cortisone Acetate 1G 421元 2014/06/02 C0389 醋酸可的松 Cortisone Acetate 5G 1240元 2010/06/16 C0389 乙酸可的松 Cortisone Acetate 25G 3410元
TCI Shanghai:乙酸可的松 Cortisone Acetate,>;99.0%(LC)(50-04-4)
醋酸可的松价格(试剂级):更新日期产品编号产品名称包装价格 2011/04/16 C0389 醋酸可的松 Cortisone Acetate 1G 332元 2011/04/16 C0389 醋酸可的松 Cortisone Acetate 5G 971元 2010/06/16 C0389 乙酸可的松 Cortisone Acetate 25G 3410元
用途一:生化研究，肾上腺皮质激素类药物，具有抗炎、抗过敏等作用。
方法一:以醋酸孕甾双烯醇酮为原料，依次经过氧化氢氧化、沃氏氧化、黑根菌生物氧化、铬酐氧化得11-酮基-16，17α环氧黄体酮，经氢溴酸开环，氢化脱溴得可的松，后者与碘反应，再与熔融醋酸钾作用得粗品，最后重结晶而得。
Sigma Aldrich:50-04-4(sigmaaldrich)
上游原料:过氧化氢 --> 镍 --> 三氧化铬 --> 醋酸妊娠双烯醇酮酯 --> 乙酸钾 --> 16,17-环氧黄体酮 --> 铬酸 --> 皂素 --> 可的松 --> 16-妊娠双烯醇酮
方法二:用妊娠双烯醇酮经环氧化、沃氏氧化、霉菌氧化、铬酸氧化、溴化氢开环，雷尼镍催化脱溴、碘化并乙酰氧基置换制得。
MOL 文件:50-04-4.mol
下游产品:氢化可的松 --> 泼尼松 --> 醋酸泼尼松
图谱信息:醋酸可的松(50-04-4)红外图谱(IR2) 醋酸可的松(50-04-4)质谱(MS) 醋酸可的松(50-04-4)红外图谱(IR1) 醋酸可的松(50-04-4)核磁图( 13 CNMR)
参考质量标准:含量达97.0%-103.0%，mp≥238C，比旋光度[α] 20 D +208°- +217°，检测干燥失重及灼烧残渣等杂质含量。