Equilin 马稀雌甾酮

CAS 474-86-2 MFCD00046223

化学结构图

474-86-2
SMILES: C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O

化学属性

Mol. FormulaC18H20O2
Mol. Weight268
Melting Point238-240 °C(lit.)

别名和识别编码

Chemical NameEquilin
CAS Number474-86-2
Synonym 1,3,5,7-Estratetraen-3-ol-17-one {uni_hamburg} Equilin 1,3,5(10),7-雌甾四烯-3-醇-17-酮 3-羟基-1,3,5(10),7-雌甾四烯-17-酮 7-脱氢雌酮 3-Hydroxyestra-1,3,5(10), 7-tetraen-17-one 3-hydroxyoestra-1,3,5(10),7-tetraen-17-one Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy- Dihydroequilenin 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one NSC 10971 7-Dehydroestrone 马烯雌甾酮
MDL NumberMFCD00046223
PubChem Substance ID223368
Beilstein Registry Number2624302
EC Number207-488-6
Chemical Name Translation马稀雌甾酮
Wiswesser Line NotationL E5 B666 FV JUTTT&J E1 OQ
LabNetwork Molecule IDLN00192958
InChIInChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ketone; alcohol; chiral; 1fragment
  • {SNA} Analytical Standards, EP Standards, EP Standards E - F, Pharmacopeia Metrological Institutes Standards, 分析/色谱
  • {SNA} Cell Signaling and Neuroscience, Cytokines, Growth Factors and Hormones, Estrogen, Hormones, Steroid Hormones, 细胞生物学
  • {SNA} Analytical Standards,
  • Cell Biology,
  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards E - F, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • {SNA} Analytical Standards, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards, USP Standards,
  • {SNA} Analytical Standards, EP Sta

产品应用

  • An estrogen found in Premarin, which is a mixture of conjugated estrogens widely used in hormone replacement therapy.

相关文献及参考

  • Fliri, A., et al.: J. Med. Chem., 52, 8038 (2009),
  • Okamoto, Y., et al.: Toxicol. Lett., 193, 224 (2010),
  • Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2010),
  • Merck 14 ,3643
  • Beil. 8 ,III,1415
  • Short: III/5b Title: Structure Data of Organic Crystals: C 14 ... C 120 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5b Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • 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

RTECSKG6650000
WGK Germany3
GHS Symbol
Precautionary statements
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
Hazard statements
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H351 Suspected of causing cancer 怀疑致癌
Hazard Codes Xn
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 Warning
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • 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       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 168 mg/kg/42W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   YJBMAU Yale Journal of Biology and Medicine.  (333 Cedar St., New Haven, CT
   06510)  V.1-    1928-  Volume(issue)/page/year: 12,213,1939

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 112 mg/kg/56W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   56,482,1949

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 640 mg/kg/38W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,5200,1983

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   48,14,1988

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Clinical Standards - Chromatography
  5. Antibiotics - Clinical Standards
  6. Chemical Structure - Antibiotics
  7. Others - Chemical Structure
  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

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