13-ETHYL-18,19-DINOR-17Α-PREGN-4-EN-20-YN-17-OL (〜90%)(LEVO NORGESTREL IMPURITY)

Levonorgestrel EP Impurity D

HCID 40574150CAS 32419-58-2

部分構造検索類似構造を探す

基本情報

標準SMILES: C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21CC
InChIKey: MXXKGWYLIJQEBP-YZZNQLOCSA-N
分子式: C21H30O
平均分子量: 298.5 g/mol

名称と識別子

優先名称: Levonorgestrel EP Impurity D
IUPAC: (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
現地名: 13-ETHYL-18,19-DINOR-17Α-PREGN-4-EN-20-YN-17-OL (〜90%)(LEVO NORGESTREL IMPURITY)
英語名: EP Levonorgestrel Impurity D
分子式: C21H30O
分子量: 298.46

名称と別名

32419-58-2Levonorgestrel EP Impurity D3-DeoxolevonorgestrelJPD9KM7FYKEP Levonorgestrel Impurity D13-Ethyl-18,19-dinor-17a-pregn-4-en-20-yn-17-ol (~90%)(Levo Norgestrel Impurity)(1R,3aS,3bR,9aR,9bS,11aS)-11a-ethyl-1-ethynyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol13-Ethyl-18,19-dinor-17alpha-pregn-4-en-20-yn-17-olUNII-JPD9KM7FYKLevonorgestrel impurity D [EP]SCHEMBL11858232

名称をさらに表示

13-ETHYL-18,19-DINOR-17Α-PREGN-4-EN-20-YN-17-OL (〜90%)(LEVO NORGESTREL IMPURITY)Levonorgestrel EP IMP DLevonorgestrel IMpurity D13-ethyl-18,19-dinor-17a-pregn-4-en-20-yn-17-ol(17a)-13-Ethyl-18,19-dinorpregn-4-en-20-yn-17-ol(17α)-13-Ethyl-18,19-dinorpregn-4-en-20-yn-17-ol13-Ethyl-18,19-dinor-17a-pregn-4-en-20-yn-17-ol - EPLevonorgestrel Impurity 4（Levonorgestrel EP Impurity D）18,19-Dinorpregn-4-en-20-yn-17-ol, 13-ethyl-, (17α)- (9CI)

LEVONORGESTREL IMPURITY D [EP IMPURITY]13-ETHYL-18,19-DINOR-17.ALPHA.-PREGN-4-EN-20-YN-17-OL13-Ethyl-18,19-dinor-17?-pregn-4-en-20-yn-17-ol (~90%)18,19-Dinorpregn-4-en-20-yn-17-ol, 13-ethyl-, (17alpha)-18,19-DINORPREGN-4-EN-20-YN-17-OL, 13-ETHYL-, (17.ALPHA.)-13-Ethyl-18,19-dinor-17Alpha-pregn-4-en-20-yn-17-ol (~90%) (Levo Norgestrel Impurity)18,19-Dinorpregn-4-en-20-yn-17-ol, 13-ethyl-, (17a)- (9CI); 18,19-Dinor-17a-pregn-4-en-20-yn-17-ol, 13-ethyl-; 13-Ethyl-18,19-dinor-17a-pregn-4-en-20-yn-17-ol (3-Deoxolevonorgestrel); Levonorgestrel Imp. D

データベース識別子

CAS: 32419-58-2
PubChem CID: 40574150
UNII: JPD9KM7FYK
Nikkaji: J209.506H

物性

構造計算による物性

XLogP: 4.9
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 22
形式電荷: 0
複雑度: 537

物理化学的性質

融点: 109 · 109-110 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
沸点: 413.6 · 413.6±45.0 °C(Predicted)
比重(密度): 1.07 · 1.07±0.1 g/cm3(Predicted)
貯蔵温度: Refrigerator
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 13.12 · 13.12±0.40(Predicted)
色: 無色からオフホワイトのワックス状

化学的性質

化学的特性Colorless Semi-Solid

化学と産業

応用分野

使用EP Levonorgestrel impurity D

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