16-Dehydropregnenolone Acetate 醋酸妊娠双烯醇酮酯

CAS 979-02-2 MFCD00051130

化学结构图

979-02-2
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1

化学属性

Mol. FormulaC23H32O3
Mol. Weight356.50
Melting Point166-169
Appearance 白色或类白色结晶性粉末。熔点205-220℃。 白色结晶性粉末，无异嗅、无气味，在空气中稳定，易溶于乙醇、甲醇，不溶于水。
Density
Boiling Point

别名和识别编码

Chemical Name16-Dehydropregnenolone Acetate
CAS Number979-02-2
Synonym ######## (3-beta)-3-(Acetyloxy)pregna-5,16-dien-20-one 1-((3S,8R,9S,10R,13S,14S)-3-HYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-ETHANONE 16-DEHYDROPREGNENOLONE 16-DEHYDROPREGNENOLONE ACETATE 16-Dehydropregnenolone acetate 16-Dehydropregnenolone acetate (Abiraterone Impurity) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number213-558-7
MDL NumberMFCD00051130
PubChem Substance ID92855
Chemical Name Translation醋酸妊娠双烯醇酮酯
Reaxys-RN4712779
InChIKeyMZWRIOUCMXPLKV-RFOVXIPZSA-N
Beilstein Registry Number1026798
LabNetwork Molecule IDLN00830464
InChIInChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1
Canonical SMILESCC(C1=CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O
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分类

  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Steroids
  • {SNA} Cell Biology, Cell Signaling and Neuroscience, GABA and Glycine Receptor Modulators, GABAergics, Ion Channels, Ligand-Gated Ion Channels, Neuroscience, Neurotransmission, Neurotransmitters, Others

产品应用

  • 16-Dehydropregnenolone Acetate is the dehydration product of Pregnenolone Acetate (). 16-Dehydropregnenolone Acetate is used in the preparation of pregnane derivatives and its glycosides as potential

相关文献及参考

  • Pandey, A.K. et al.: Ind. J. Heterocyc. Chem., 15, 353 (2006);

安全信息

WGK Germany2
RTECSTU4156200
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
Precautionary statements
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >8 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 18(2),32,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >8 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 18(2),32,1974

GHS Symbol
UN Number
Hazard Codes
Safety Statements
Risk Statements
Packing Group

其他信息

  • 用途一:用作甾体激素药物中间体，可制造皮质激素、蛋白固化激素类、雄性激素类、黄体激素类的药物
  • MOL 文件:1162-53-4.mol
  • Sigma Aldrich:979-02-2(sigmaaldrich)
  • 方法一:可用薯蓣皂素经开环、乙酰化、氧化、水解、消除数步反应制得。
  • 用途二:可的松醋酸酯、氢化可的松、己酸孕酮的中间体。
  • 下游产品:醋酸可的松 --> 孕烯醇酮
  • 下游产品:3-(2,2-二氯乙烯基)-2,2-二甲基环丙基羧酸甲基酯 --> 二氯菊酸乙酯 --> 孕酮 --> 醋酸可的松 --> 双烯大分子单体共聚物光学塑料 --> 替莫西林 --> 甲睾酮 --> 可的松 --> 6-亚甲基孕甾-4-烯-17Α-醇-3,20-二酮-17-醋酸酯 --> 3-十五烷基苯酚 --> 11Α,17Α,21-三羟基-16Α-甲基孕甾-4-烯-3,20-二酮 --> 双甲基丙烯酰氧苯基丙烷与苯乙烯共聚物光学塑料 --> 16α,17α-环氧-3β-羟基-16β-甲基孕甾-5-烯-20-酮 --> 1-烯丙基丙烯 --> 16Α-甲基孕甾-4,9(11)-二烯-17Α,21-二醇-3,20-二酮-21-醋酸酯 --> 3Β-乙酰氧基-5Α-氯雄甾(烷)-6Β-醇-17-酮 --> 16Α-甲基孕甾-5-烯-3Β,17Α-二醇-20-酮-3-醋酸酯 --> 16Α-甲基孕甾-1,4,9(11)-三烯-17Α,21-二醇-3,20-二酮-21-醋酸酯 --> 16Α-甲基孕甾-4-烯-17Α,21-二醇-3,20-二酮-21-醋酸酯 --> 3β-羟基-20-羟亚氨基孕甾-5,16-二烯-20-酮-3-醋酸酯 --> 孕烯诺龙乙酸酯
  • 上游原料:乙醇 --> 乙酸 --> 乙酐 --> 环己烷 --> 皂素 --> 薯蓣皂素
  • MOL 文件:979-02-2.mol

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Neuroscience - Cell Signaling and Neuroscience
  5. Neurotransmission - Neuroscience
  6. Neurotransmitters - Neurotransmission
  7. GABAergics - Neurotransmitters
  8. Others - GABAergics

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