CAS 84371-65-3 MFCD00867226-Mifepristone 米非司酮 TAO{mole}

Mifepristone 米非司酮

CAS 84371-65-3 MFCD00867226

化学结构图

SMILES: CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C

化学属性

Mol. Formula	C29H35NO2
Mol. Weight	429.59
Melting Point	192-196
Appearance	Solid powder
Solubility	Soluble in DMSO, not soluble in water.

别名和识别编码

Chemical Name	Mifepristone
Synonym	Mifepristone R 38486 RU 38486 RU 486 RU 486-6 RU-486; RU 486; RU486; C-1073; C 1073; C1073; C-1073; Brand name: Mifegyne；Mifepriston；Pictovir; Mifepristonum; Mifepristona; Corlux.
MDL Number
PubChem Substance ID	87558747
CAS Number	84371-65-3
Chemical Name Translation	米非司酮
Reaxys-RN	5779404
Merck Number	6186
Beilstein Registry Number	87558747
Formula	C29H35NO2
IUPAC Name	(8S,11R,13S,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-6,7,8,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
InChIKey	VKHAHZOOUSRJNA-GCNJZUOMSA-N
InChI	InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Canonical SMILES	O=C1CCC2=C3[C@@H](C4=CC=C(N(C)C)C=C4)C[C@]5(C)[C@@](C#CC)(O)CC[C@@]5([H])[C@]3([H])CCC2=C1

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分类

{SA} Antitumor Agents, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cancer Research, Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, Danco Laboratories, Gene Regulation,
Antitumor Agents, Approved Therapeutics/Drug Candidates, Bioactive Small Molecules, Cancer Research, Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, Danco Laboratories, Gene Regulation, Hormones, M, Other Steroid Products, Progesterone Modulators, Steroid Hormones, Tumor Growth Regulation

产品应用

Mifepristone is a synthetic steroid compound used as a pharmaceutical. It is used as an abortifacient in the first two months of pregnancy, and in smaller doses as an emergency contraceptive. During early trials, it was known as RU-486, its designation at the Roussel Uclaf company, which designed the drug. The drug was initially made available in France, and other countries then followed—often amid controversy. It is marketed under tradenames Mifegyne and Mifeprex.

安全信息

WGK Germany3

GHS Symbol

Precautionary statements

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。
P304+P340+P312
P308+P313
P201 Obtain special instructions before use. 使用前获取专门指示。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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。
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。
P302+P352+P312+P362+P364
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word

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
H302+H312+H332

Hazard Codes T

RTECSKG2955000

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

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）；
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；
S22 Do not breathe dust 不要吸入粉尘；
S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；

Risk Statements

Storage condition 0-10 0-10°C Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 12 mg/kg
SEX/DURATION            : female 6 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - abortion
REFERENCE :
   EOGRAL European Journal of Obstetrics, Gynecology and Reproductive Biology.
   (Elsevier Science Pub. BV, POB 211, 1000 AE Amsterdam, Netherlands)  V.3-
   1973-  Volume(issue)/page/year: 28,249,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 50 mg/kg
SEX/DURATION            : female 21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - parturition
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 79,1,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 12 mg/kg
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - abortion
REFERENCE :
   OBGNAS Obstetrics and Gynecology.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1953- Volume(issue)/page/year:
   74,653,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 30 mg/kg
SEX/DURATION            : female 2 day(s) after conception
TOXIC E