β-Estradiol 3-benzoate 苯甲酸雌二醇

CAS 50-50-0 MFCD00003692

化学结构图

50-50-0
SMILES: C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

化学属性

Mol. FormulaC25H28O3
Mol. Weight377
Melting Point191-198
Density1.185
Appearance 白色结晶性粉末;无臭。略溶于丙酮,微溶于乙醇,不溶于水。熔点191-198℃

别名和识别编码

Chemical Nameβ-Estradiol 3-benzoate
Synonym 1,3,5(10)-Estratriene-3,17-diol 3-benzoate, 3,17-Dihydroxy-1,3,5(10)-estratriene 3-benzoate, 3-Benzoyloxy-17-estrol 1,3,5(10)-Estratriene-3,17-diol-3-benzoate 1,3,5(10)-Estratriene-3,17β-diol 3-benzoate, 3,17β-Dihydroxy-1,3,5(10)-estratriene 3-benzoate, 3-Benzoyloxy-17β-estrol 1,3,5(10)-estratriene-3,17β-diol 3-benzoate 17beta-estradiol benzoate 17beta-estradiol-3-benzoate 3,17BETA-DIHYDROXY-1,3,5[10]-ESTRATRIENE 3-BENZOATE Benzhormovarine Benzo-gynoestryl Benzoate d'oestradiol Benzofoline De graafina Dihydrofolliculin benzoate Eston-B Estra- Estradiol monobenzoate Femestrone Folone Gynecormone N-氧化 Pr Primogyn B Recthormone Oestradiol Solestro b
MDL NumberMFCD00003692
PubChem Substance ID222757
Beilstein Registry Number3107526
CAS Number50-50-0
EC Number200-043-7
Reaxys-RN3107526
Merck Number3703
Chemical Name Translation苯甲酸雌二醇
Wiswesser Line NotationL E5 B666TTT&J E1 FQ OOVR
LabNetwork Molecule IDLN00873771
InChIInChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
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分类

  • Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, Clinical Standards, E, EQ - EZ, Hormones, Market Segments, Neats and Solutions, Standards for Food and Beverage Analysis, Standards for Pharma Clinical Forensic & Veterinary Analysis
  • {SA} Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, Clinical Standards, E, EQ - EZ, Hormones, Market Segments, Neats and Solutions, Standards for Food and Beverage Analysis,
  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ester; alcohol; 1fragment
  • {SNA} Alphabetical Index of Analytical

相关文献及参考

  • Merck: 14,3703
  • Short: EINECS
  • Short: IV/8A
  • Merck: 14,3703 Beilstein: 9,IV,406
  • Merck 14 ,3703

安全信息

RTECSKG4050000
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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • 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
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • 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.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
  • 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
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
  • S22 Do not breathe dust 不要吸入粉尘;
  • 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;
  • 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;
  • 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);
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • 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
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 240 ug/kg/8W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   LANCAO Lancet.  (7 Adam St., London WC2N 6AD, UK)  V.1-    1823-
   Volume(issue)/page/year: 1,1313,1939

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 23 mg/kg/36W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Blood - lymphoma, including Hodgkin's disease
   Blood - leukemia
REFERENCE :
   YJBMAU Yale Journal of Biology and Medicine.  (333 Cedar St., New Haven, CT
   06510)  V.1-    192

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 24 mg/kg/36W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Blood - leukemia
   Skin and Appendages - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   8,337,1948

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 60 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
   Tumorigenic - tumor types after systemic administration not seen
   spontaneously
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   1,290,1941

TYPE OF TEST            : DNA inhibition
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 10 ug/kg
REFERENCE :
   JOENAK Journal of Endocrinology.  (Biochemical Soc. Book Depot, POB 32,
   Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1939-
   Volume(issue)/page/year: 65,45,1975

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1063 ug/kg
SEX/DURATION            : female 42 day(s) pre-mating  - 21 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - physical
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 22,969,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Human - woman
DOSE                    : 1 mg/kg
SEX/DURATION            : female 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
   FESTAS Fertility and Sterility.  (American Fertility Soc., 608 13th Ave. S,
   Birmingham, AL 35282) V.1-    1950-  Volume(issue)/page/year: 26,405,1975

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

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1063 ug/kg
SEX/DURATION            : female 42 day(s) pre-mating  - 21 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
   Reproductive - Fertility - mating performance (e.g. # sperm positive females
   per # females mated; # copulations per # estrus cycles)
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 22,969,1974

其他信息

  • 用途一:用于因雌性激素不足而引起的各种病症。
  • Sigma Aldrich:50-50-0(sigmaaldrich)
  • F:8
  • 苯甲酸雌二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 E0329 苯甲酸雌二醇 Estradiol Benzoate 5G 790元 2014/06/02 E0329 苯甲酸雌二醇 Estradiol Benzoate 1G 330元
  • 苯甲酸雌二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 E0329 苯甲酸雌二醇 Estradiol Benzoate 5G 1260元 2011/04/16 E0329 苯甲酸雌二醇 Estradiol Benzoate 1G 572元
  • TCI Shanghai:苯甲酸雌二醇 Estradiol Benzoate,>;97.0%(GC)(50-50-0)
  • MOL 文件:50-50-0.mol
  • 图谱信息:苯甲酸雌二醇(50-50-0)核磁图( 13 CNMR) 苯甲酸雌二醇(50-50-0)红外图谱(IR1) 苯甲酸雌二醇(50-50-0)核磁图( 1 HNMR)
  • MSDS 信息:1,3,5(10)-Estratriene-3,17b-diol 3-benzoate(50-50-0).msds

系列性分类


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