Equilin, benzoate -

CAS 6030-80-4 MFCD00468046

化学结构图

6030-80-4
SMILES: C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CCC2=O

化学属性

Mol. FormulaC₂₅H₂₄O₃
Mol. Weight372.46
Melting Point193-196 °C(lit.)
Boiling Point-
Flash Point-

别名和识别编码

Chemical NameEquilin, benzoate
MDL Number-
CAS Number6030-80-4
PubChem Substance ID24871079
Synonym 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one, benzoate Equilin 3-Benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation-
InChIKeyUIXFQXUDHNMOTI-KJWPAHLWSA-N
Wiswesser Line NotationL E5 B666 FV JUTTT&J E1 DOVR
Beilstein Registry Number3172244
Canonical SMILES-
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分类

  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules

相关文献及参考

安全信息

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
  • H351 Suspected of causing cancer 怀疑致癌
RTECSKD7875000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Hazard Codes Xn
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       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 42 mg/kg/21W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses
   Filiales.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.1-    1849-
   Volume(issue)/page/year: 122,183,1936

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 148 mg/kg/37W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
   Reproductive - Tumorigenic effects - uterine tumors
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           : 96 mg/kg/48W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Blood - lymphoma, including Hodgkin's disease
   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

Storage condition N/A

系列性分类

  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Complex Molecules - Chiral Building Blocks
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Complex Molecules - Chiral Building Blocks

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