CAS 50-27-1 MFCD00003691-Estriol 雌三醇 TAO{mole}

Estriol 雌三醇

CAS 50-27-1 MFCD00003691

化学结构图

SMILES: C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O

化学属性

Mol. Formula	C18H24O3
Mol. Weight	288
Melting Point	280-282
Density	1.255
Appearance	+34.4°(吡啶)、 +58°±5°(4%，二氧六环)；乙醇溶液在280nm波长处有最大吸收。本晶难溶于水，微溶于乙醇(1：500)、乙醚、氯仿、二氧六环和植物油，易溶于吡啶和氢氧化碱溶液。 25 D Solid powder 白色结晶性粉末。Mp283℃；相对密度1.27；比旋光度[α]
Refractive index	58 ° (C=0.4, Dioxane)
Solubility	Soluble in DMSO.

别名和识别编码

Chemical Name	Estriol
CAS Number	50-27-1
Synonym	(16-alpha,17-beta)-estra-1,3,5(10)-triene-3,16,17-triol (16-alpha,17-beta)-oestra-1,3,5(10)-triene-3,16,17-triol (16alpha,17beta)-Estra-1,3,5(10)-Triene-3,16,17-Triol (16alpha,17beta)-Oestra-1,3,5(10)-triene-3,16,17-triol (16beta,17beta)-Estra-1,3,5(10)-Triene-3,16,17-Triol 1,3, 1,3,5 1,3,5(10)-ESTRATRIEN-3, 16ALPHA, 17BETA-TRIOL 1,3,5(10)-estratriene-3,16a,17b-triol 1,3,5(10)-三烯-3Β,16Α,17Β三醇 1,3,5(10)-三烯-3β,16α,17β-三 1,3,5-ESTRATRIENE-3,16ALPHA, 17BETA-TRIOL 16 alpha Hydroxy Estradiol 16,17-二羟甾醇 16-ALPHA-HYDROXY 17-BETA-ESTRADIOL 16-alpha-Hydroxy-Estradiol 16alpha,17beta Estriol 16alpha,17beta-Estriol 16beta Hydroxy Estradiol 16beta-Hydroxy-Estradiol 16α-Estriol 16α-Hydroxy-17β-estradiol {MK
MDL Number	MFCD00003691
PubChem Substance ID	5756
Beilstein Registry Number	6(3)6520
EC Number	200-022-2
Reaxys-RN	2508172
Merck Number	3707
Chemical Name Translation	雌三醇
Wiswesser Line Notation	L E5 B666TTT&J E1 FQ GQ OQ
LabNetwork Molecule ID	LN00235748
InChI	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
Formula	C18H24O3
IUPAC Name	(8R,9S,13S,14S,16R,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol
InChIKey	PROQIPRRNZUXQM-ZXXIGWHRSA-N
Canonical SMILES	OC1=CC=C2[C@@]3([H])CC[C@]4(C)[C@@H](O)[C@H](O)C[C@@]4([H])[C@]3([H])CCC2=C1

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产品应用

Estriol (also oestriol) is one of the three main estrogens produced by the human body. In pregnant women with multiple sclerosis (MS), estriol reduces the disease's symptoms noticeably, according to researchers at UCLA's Geffen Medical School. Estriol can be a weak or strong estrogen depending on if it is given acutely or chronically when given to immature animals, but is an antagonist when given in combination with estradiol. Estriol may play a role in the development of breast cancer, but based on in vitro research does appear to act as an antagonist to the G-protein coupled estrogen receptor. Though estriol is used as part of the primarily North American phenomenon of bioidentical hormone replacement therapy, it is not approved for use by the FDA or Health Canada. (Source: http://en.wikipedia.org/wiki/Estriol).

安全信息

RTECSKG8225000

GHS Symbol

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。
P263 Avoid contact during pregnancy/while nursing. 怀孕/哺乳期间避免接触。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
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。
P273 Avoid release to the environment. 避免释放到环境中。
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。
P301+P312+P330
P302+P350
P302+P352+P312+P362+P364
P304+P340+P312
P305+P351+P338
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
P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H302+H312+H332
H350 May cause cancer 可能致癌
H351 Suspected of causing cancer 怀疑致癌
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
H362 May cause harm to breast-fed children 可能对母乳喂养的婴儿造成伤害
H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。

Hazard Codes T

WGK Germany3

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 Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Signal word Danger

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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；

Risk Statements

R60 May impair fertility 可能降低生殖能力
R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 480 mg/kg/64W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   NCIMAV National Cancer Institute, Monograph.  (U.S. Government Printing
   Office, Supt. of Documents, Washington, DC 20402)  No.1-    1959-
   Volume(issue)/page/year: 1,1,1959

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 20 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   RBBIAL Revista Brasileira de Biologia.  Brazilian Review of Biology.
   (Academia Brasileira de Ciencias, Caixa Postal 229, ZC-00 Rio de Janeiro,
   Brazil)  V.1-    1941-  Volume(issue)/page/year: 5,1,1945

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 34 mg/kg
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   EJCAAH European Journal of Cancer.  (Oxford, UK)  V.1-17(6), 1965-1981. For
   publisher information, see EJCODS.  Volume(issue)/page/year: 11,39,1975

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 26 mg/kg
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   EJCAAH European Journal of Cancer.  (Oxford, UK)  V.1-17(6), 1965-1981. For
   publisher information, see EJCODS.  Volume(issue)/page/year: 11,39,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2 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: -,176,1990

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 50 umol/L
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 29,201,1985

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 10 umol/L
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 44,62,1988

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 75 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 171,31,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 250 ug/kg
SEX/DURATION            : fema

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intrauterine
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 760 ng/kg
SEX/DURATION            : female 28 day(s) pre-mating
                          female 1-10 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: 28,262,1977

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3 mg/kg
SEX/DURATION            : female 1-4 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 :

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EX

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 400 ug/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
   accessory glands
REFERENCE :
   ACENA7 Acta Endocrinologica (Copenhagen).  (Periodica, Skolegade 12 E,
   DK-2500 Valby, Denmark) V.1-    1948-  Volume(issue)/page/year: 49,193,1965

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

其他信息

无臭无味。旋光度+58°(二噁烷)。不溶于水，易溶于吡啶，溶于乙醇、乙醚、丙酮、氯仿、二噁烷和植物油。体内为雌二醇和雌酮的代谢产生，主要存在于尿中的天然激素之一。
TCI Shanghai:雌三醇 Estriol,>;99.0%(GC)(50-27-1)
无臭无味。旋光度+59°(二噁烷)。不溶于水，易溶于吡啶，溶于乙醇、乙醚、丙酮、氯仿、二噁烷和植物油。体内为雌二醇和雌酮的代谢产生，主要存在于尿中的天然激素之一。
方法一:醋酸雌酮依次经烯醇化、乙酰化、环氧化和还原制得。
用途一:生化研究，雌性激素类药物。
所属类别一:生物化学品: 生化试剂: 激素
F:8-10
上游原料:雌酚酮
图谱信息:雌三醇(50-27-1)红外图谱(IR1)
方法二:以雌酚酮为原料，经乙酰化、环氧化、还原，制得雌三醇成品。雌酚酮[乙酰化]→[16, 17-环氧化]→[重排]→[还原]→[水解]→雌三醇成品。
MOL 文件:50-27-1.mol
雌三醇价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 66003080 雌三醇 100mg 205.9元 2011/04/16 E0218 雌三醇 Estriol 1G 790元 2011/04/16 E0218 雌三醇 Estriol 100MG 181元
用途二:雌激素类药。用于白细胞减少，各种月经病、老年性阴道炎、妇女更年期综合征等。可有暂时性乳房肿胀和硬块，月经周期紊乱，停药后1月左右可自行恢复。有乳腺增生、乳房肿块、可能与女性激素有关的肿瘤、再生障碍性贫血及肝病患者忌用。
Sigma Aldrich:50-27-1(sigmaaldrich)
参考质量标准二:比旋光度[α] 25 D +53°-+63°；检测溶解试验及干燥失重等杂质含量。
参考质量标准一:原料药美国药典标准1995年版626页指标名称指标指标名称指标含量(C18H24O3)/% 97.0-102.0/干燥失重/% ≤0.5 比旋度(c=4mg/L, 二氧杂环己烷)/+54°-+62°/炽灼残渣/% ≤0.1
用途三:治疗白细胞减少症，对前列腺肥大、前列腺癌也有一定疗效。
所属类别二:生物化学品: 脂类: 固醇及类固醇类