4-Hydroxyestradiol 4-hydroxyestradiol

CAS 5976-61-4 MFCD00063335

化学结构图

5976-61-4
SMILES: C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O

化学属性

Mol. FormulaC18 H24 O3
Mol. Weight288.38
Melting Point>190°C (dec.)
Boiling Point
Flash Point-

别名和识别编码

Chemical Name4-Hydroxy-17β-estradiol
CAS Number5976-61-4
Synonym (17?)-Estra-1,3,5(10)-triene-3,4,17-triol 1,3,5(10)-Estratriene-3,4,17β-triol 4-Hydroxy-17-beta-estradiol 4-Hydroxy-17Beta-estradiol 4-Hydroxy-17b-estradiol 4-Hydroxy-17beta-estradiol {PubChem} 4-hydroxyestradiol-17 alpha 4-hydroxyestradiol-17 beta {} {PubChem} 4-hydroxyestradiol {} {} {} {} {PubChem} 4-hydroxyestradiol-17 beta {} {} {} {} {} {PubChem} 4-hydroxyestradiol-17 alpha {} {} {} {} {} {} {PubChem} 4-hydroxyestradiol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 4-hydroxyestradiol-17 beta {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 4-hydroxyestradiol-17 alpha {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 4-hydroxyestradiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL Number-
PubChem Substance ID5282360
Chemical Name Translation4-hydroxyestradiol
InChIInChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
Canonical SMILES-
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分类

  • {SNA} Bioactive Small Molecules, H, 细胞生物学
  • {SNA} H, 生物活性小分子, 细胞生物学
  • {SNA} Bioactive Small Molecules, Cell Biology, H
  • Steroids,
  • Metabolites & Impurities

产品应用

  • A metabolite of Estradiol.

相关文献及参考

  • Bucala, R., et al.: J. Clin. Endocrinol. Metab., 60, 841 (1985),
  • Telang, N., et al.: Anticancer Res., et al.: 11, 1021 (1991),
  • Seeger, H., et al.: Med. Sci. Res., 26, 481 (1998),

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。
  • P203
  • 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
  • P318
  • 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
RTECSKG7676000
Signal word Warning
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
Hazard Codes Xn
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S22 Do not breathe dust 不要吸入粉尘；
Risk Statements
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 900 mg/kg/90D-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   JSTBBK Journal of Steroid Biochemistry.  (Pergamon Press Ltd., Headington
   Hill Hall, Oxford OX3 0BW, UK)  V.1-    1969-  Volume(issue)/page/year:
   24,353,1986

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - hamster
DOSE/DURATION           : 14 mg/kg/7D (Continuous)
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 15,997,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 10 ug/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   EXPEAM Experientia.  (Birkhaeuser Verlag, POB 133, CH-4010 Basel,
   Switzerland)  V.1-    1945-  Volume(issue)/page/year: 42,165,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1280 ng/kg
SEX/DURATION            : male 8 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - other effects on male
   Endocrine - androgenic
REFERENCE :
   ANDRDQ Andrologia.  (Grosse Verlag GmbH, Kurfuerstenstr. 112-113, D-1000
   Berlin 30, Fed. Rep. Ger.) V.6-    1974-  Volume(issue)/page/year:
   23,339,1991

Storage condition -20 -20°C -20°C, Hygroscopic -20℃

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. H - Bioactive Small Molecules
  1. Functional Group 官能团索引
  2. 1,2-diphenol

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