Etienic acid 3-氧代-雄甾-4-烯-17beta-羧酸

CAS 302-97-6 MFCD00271288

化学结构图

302-97-6
SMILES: CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)O)CCC12

化学属性

Mol. FormulaC20H28O3
Mol. Weight316.43
Melting Point260 °C
Boiling Point483.9±45.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-Oxo-4-Androstene-17-Carboxylicacid
CAS Number302-97-6
Synonym 3-Oxoandrost-4-ene-17β-carboxylic acid {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid 4-androsten-3-one-17 beta-carboxylic acid AOBCA etienic acid {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxoandrost-4-ene-17β-carboxylic acid {} {} {} {} {}
MDL NumberMFCD00271288
Chemical Name Translation3-氧代-雄甾-4-烯-17beta-羧酸
Beilstein Registry Number3121673
PubChem Substance ID99472
InChIInChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)/t14-,15-,16-,17+,19-,20-/m0/s1
Canonical SMILESC[C@@]12[C@@H](C(O)=O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3([H])CC2)=O
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分类

  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Steroids

产品应用

  • Testosterone 17?-Carboxylic Acid is used in the synthesis of anti-benign prostatic hyperplasia drugs Dutasteride (D735000) and Finasteride.

相关文献及参考

  • Brooks, J., et al.: Annu. Drug Data Rep., 14, 996 (1992),
  • Lam, J., et al.: Urology, 61, 354 (2003),
  • Tarter, T., et al.: Curr. Pharm. Des., 12, 775 (2006),

安全信息

RTECSBV8089660 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 50 mg/kg
SEX/DURATION            : male 15 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - male fertility index (e.g. # males impregnating
   females per # males exposed to fertile nonpregnant females)
REFERENCE :
   ARANDR Archives of Andrology.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1978- Volume(issue)/page/year:
   2,179,1979

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
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
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
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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.....
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

其他信息

  • Sigma Aldrich:302-97-6(sigmaaldrich)
  • MOL 文件:302-97-6.mol

系列性分类

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