Isotibolone (7α,17α)-17-羟基-7-甲基-19-去甲孕甾-4-烯-20-炔-3-酮

CAS 1162-60-3 MFCD01162603

化学结构图

1162-60-3
SMILES: C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@H]1CCC(=O)C=C1C[C@H]3C

化学属性

Mol. Weight312.45
Mol. FormulaC21H28O2

别名和识别编码

CAS Number1162-60-3
Chemical NameIsotibolone
Synonym delta-4-Tibolone {LY} delta-4-Tibolone {} {LY} delta-4-Tibolone {} {} {LY} delta-4-Tibolone {} {} {} {LY} delta-4-Tibolone {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} delta-4-Tibolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
InChIKeyWAOKMNBZWBGYIK-KIURNNQRSA-N
Chemical Name Translation (7α,17α)-17-羟基-7-甲基-19-去甲孕甾-4-烯-20-炔-3-酮
Wiswesser Line NotationL E5 B666 OV MUTJ E1 FQ F1UU1 K1
Beilstein Registry Number4263193
PubChem Substance ID22814761
InChIInChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,12-13,16-19,23H,5-11H2,2-3H3/t13-,16+,17-,18+,19-,20+,21+/m1/s1
Canonical SMILESC[C@H]1[C@@]2([H])[C@@]3([H])[C@@]([C@@](O)(CC3)C#C)(CC[C@]2([H])[C@]4([H])C(C1)=CC(CC4)=O)C
MDL NumberMFCD01711288
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分类

  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Steroids,

产品应用

  • A metabolite of Tibolone. A synthetic steroid with weak estrogenic, androgenic and progestogenic activity. A pharamceutical used in the treatment of menopausal syndrome.

相关文献及参考

  • Clarkson, T., et al.: J. Clin. Endocrinol. Metab., 86, 5396 (2001),

安全信息

RTECSRC9027000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 4 mg/kg
SEX/DURATION            : male 10 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
   accessory glands
REFERENCE :
   CCPTAY Contraception.  (Geron-X, Inc., POB 1108, Los Altos, CA 94022)  V.1-
   1970-  Volume(issue)/page/year: 1,87,1970

Storage condition

系列性分类

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