Β-Estradiol 17-Valerate 17-戊酸-β-雌二醇酯

CAS 979-32-8 MFCD00056541

化学结构图

979-32-8
SMILES: CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C

化学属性

Mol. FormulaC23H32O3
Mol. Weight357
Melting Point146-150
SolubilitySoluble in ethanol, chloroform, methanol, water (3.6 mg/L at 27 °C), and DMSO (71 mg/mL at 25 °C).

别名和识别编码

Chemical NameΒ-Estradiol 17-Valerate
CAS Number979-32-8
Synonym ######## β-雌二醇 17-戊酸酯 1,3,5(10)-ESTRATRIEN-3,17-BETA-DIOL 17-VALE 1,3,5(10)-Estratriene-3,17-diol 17-pentanote 1,3,5(10)-雌三烯-3,17β-二醇 17-戊酸酯 1,3,5(10)​-​Estratriene-​3,17β-diol 17-pentanote 17-戊酸-β-雌二醇酯;1,3,5(10)-雌三烯-3,17β-二醇 17-戊酸酯;戊酸雌二醇 17B-ESTRADIOL VALERATE 17B-ESTRADIOL-17-VALERATE 3,5(10)-triene-3,17-diol(17-beta)-estra-17-pentanoate 3-羟基雌甾-1,3,5(10)-三烯-17b-醇 17-戊酸酯 BETA-ESTRADIOL 17-VALERATE DIHYDROFOLLICULIN VALERATE Deladiol Estradiol 17-beta-valerate Estradiol valerate Estradiol-17-valerate; 1,3,5(10)-Estratriene-3,17b-diol 17-pentanote Femogex Pharlon Progynon-depot deladiol delahormoneunimatic delestrogen dura-estradiol estradiol valerate {} {Ch
MDL NumberMFCD00056541
PubChem Substance ID13791
Beilstein Registry Number2480357
EC Number 213-559-2
Reaxys-RN2480357
Merck Number3703
Chemical Name Translation17-戊酸-β-雌二醇酯
Wiswesser Line NotationL E5 B666TTT&J E1 FOV5 OQ
LabNetwork Molecule IDLN00836022
InChIInChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21+,23+/m1/s1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ester; alcohol; chiral; 1fragment
  • {SNA} Bioactive Small Molecule Alphabetical Index, Cytokines, Growth Factors and Hormones, E, Estrogen, Hormones, Steroid Hormones, 生物活性小分子, 细胞信号转导和神经科学,
  • {SNA}
  • {SNA} Bioactive Small Molecules, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, E, Estrogen, Hormones, Steroid Hormones, 细胞生物学
  • Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, E, Estrogen, Hormones, Steroid Hormones

产品应用

  • Estradiol (E888000) derivative. An estrogen.

相关文献及参考

  • Salole, E.G., et al.: Anal. Profiles Drug Subs., 15, 283 (1986),
  • Lievertz, R.W., et al.: Am. J. Obstet. Gynecol., 156, 1289 (1987),
  • Merck 14 ,3703
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
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。
  • 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
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • 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
RTECSKG5793000
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
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）；
  • 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
  • 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
Storage condition 储存温度-20°C 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 104 mg/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 5,1003,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 ug/kg/W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   AVBIB9 Advances in the Biosciences.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1967-  Volume(issue)/page/year:
   22/23,359,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 10 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
   Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
   BIREBV Biology of Reproduction.  (Soc. for the Study of Reproduction, 309 W.
   Clark St., Champaign, IL 61820)  V.1-    1969-  Volume(issue)/page/year:
   31,587,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1 mg/kg
SEX/DURATION            : female 12-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   PTLGAX Pathology.  (Royal College of Pathologists of Australia, 82 Windmill
   St., Sydney, NSW, Australia)  V.1-    1969-  Volume(issue)/page/year:
   5,183,1973

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 3200 ug/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 25,351,1982

其他信息

  • Estradiol valerate是一种人工合成的酯，用于治疗更年期症状及激素不足。
  • 用途一:用于闭经、更年期综合症，减少乳汁分泌、前列腺癌等。
  • Sigma Aldrich:979-32-8(sigmaaldrich)
  • MOL 文件:979-32-8.mol
  • β-雌二醇 17-戊酸酯

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Cytokines, Growth Factors and Hormones - Cell Signaling and Neuroscience
  5. Hormones - Cytokines, Growth Factors and Hormones
  6. Steroid Hormones - Hormones
  7. Estrogen - Steroid Hormones
  1. Functional Group 官能团索引
  2. carboxylic acid salt
  1. Functional Group 官能团索引
  2. sulfuric acid monoester

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