2-Ethynyl-20,21,21-trifluoro-A-nor-17alpha-pregn-20-ene-2beta,17-diol

CAS 52-47-1 MFCD00052471

化学结构图

52-47-1
SMILES: C#C[C@@]1(O)CC2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@]4(O)C(F)=C(F)F)[C@@]2(C)C1

化学属性

Mol. Weight382.51
Mol. FormulaC22H29F3O2

别名和识别编码

Wiswesser Line NotationL E5 B665TJ A1 E1 FYFUYFF FQ OQ O1UU1
Chemical Name2-Ethynyl-20,21,21-trifluoro-A-nor-17alpha-pregn-20-ene-2beta,17-diol
Synonym 2-alpha-Ethynyl-20,21,21-trifluoro-A-nor-17-alpha-pregn-20-ene-2-beta,17-beta-diol
Beilstein Registry Number3009493
CAS Number52-47-1
InChIKeyWNWFNZCICMONRN-SCFMTHNNSA-N
PubChem Substance ID21126920
InChIInChI=1S/C22H29F3O2/c1-4-21(26)11-13-5-6-14-15(19(13,2)12-21)7-9-20(3)16(14)8-10-22(20,27)17(23)18(24)25/h1,13-16,26-27H,5-12H2,2-3H3/t13?,14-,15+,16+,19+,20+,21-,22-/m1/s1
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安全信息

RTECSRC8960300 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 ug/kg
SEX/DURATION            : female 1 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   STEDAM Steroids.  (Holden-Day Inc., 4432 Telegraph Ave., Oakland, CA 94609)
   V.1-    1963-  Volume(issue)/page/year: 4,657,1964

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 ug/kg
SEX/DURATION            : female 1 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   STEDAM Steroids.  (Holden-Day Inc., 4432 Telegraph Ave., Oakland, CA 94609)
   V.1-    1963-  Volume(issue)/page/year: 4,657,1964

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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