Betamethasone 11,21-diacetate
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基本情報
- CAS
330157-05-6- 標準SMILES
CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(C)=O)C[C@@]21C- InChIKey
GTECTIGXIMGLJQ-UPJXLQJGSA-N- 分子式
- C26H33FO7
- 平均分子量
- 476.5 g/mol
- 単同位体質量
- 476.22103155
名称と識別子
- 優先名称
- Betamethasone 11,21-diacetate
- IUPAC
- [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-11-acetyloxy-9-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
- 英語名
- Betamethasone Acetate EP Impurity C
- 分子式
- C26H33FO7
- 分子量
- 476.53
名称と別名
Betamethasone 11,21-diacetate330157-05-6UNII-3I5NFZ44BA3I5NFZ44BADTXSID30186649Pregna-1,4-diene-3,20-dione, 11,21-bis(acetoxy)-9-fluoro-17-hydroxy-16-methyl-, (11beta,16beta)-BETAMETHASONE ACETATE IMPURITY C [EP IMPURITY]9-FLUORO-17-HYDROXY-16.BETA.-METHYL-3,20-DIOXOPREGNA-1,4-DIENE-11.BETA.,21-DIYL DIACETATEPREGNA-1,4-DIENE-3,20-DIONE, 11,21-BIS(ACETYLOXY)-9-FLUORO-17-HYDROXY-16-METHYL-, (11.BETA.,16.BETA.)-BETAMETHASONE ACETATE IMPURITY C (EP IMPURITY)RefChem:119539DTXCID20109140
名称をさらに表示
Betamethasone-11, 21-acetateBetamethasone 11β,21-DiacetateBetamethasone Acetate Impurity CBetamethasone Acetate Related Compound CBetamethasone Acetate USP Related Compound CBetamethasone Acetate EP Impurity C (Betamethasone 11,21-Diacetate)Pregna-1,4-diene-3,20-dione, 11,21-bis(acetyloxy)-9-fluoro-17-hydroxy-16-methyl-, (11β,16β)-Betamethasone Impurity 20（Betamethasone Acetate EP Impurity C） (Betamethasone 11,21-Diacetate)Betamethasone Acetate impurity 1/Betamethasone Acetate EP Impurity C/Betamethasone 11,21-Diacetate
9-FLUORO-17-HYDROXY-16.ALPHA.-METHYL-3,20-DIOXOPREGNA-1,4-DIENE-11.BETA.,21-DIYL DIACETATE9-FLUORO-17-HYDROXY-16BETA-METHYL-3,20-DIOXOPREGNA-1,4-DIENE-11BETA,21-DIYL DIACETATEPREGNA-1,4-DIENE-3,20-DIONE, 11,21-BIS(ACETYLOXY)-9-FLUORO-17-HYDROXY-16-METHYL-, (11BETA,16BETA)-9-FLUORO-17-HYDROXY-16ALPHA-METHYL-3,20-DIOXOPREGNA-1,4-DIENE-11BETA,21-DIYL DIACETATEBetamethasone Acetate EP Impurity C[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-11-acetyloxy-9-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate2-((8S,9R,10S,11S,13S,14S,16S,17R)-11-acetoxy-9-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetateBetamethasone Acetate Imp. C (EP); Betamethasone 11,21-Diacetate; Pregna-1,4-diene-3,20-dione, 11,21-bis(acetyloxy)-9-fluoro-17-hydroxy-16-methyl-, (11beta,16beta)-; (11beta,16beta)-11,21-Bis(acetyloxy)-9-fluoro-17-hydroxy-16-methylpregna-1,4-diene-3,20-dione; Betamethasone Acetate Related Compound C; Betamethasone Acetate Impurity C
データベース識別子
- CAS
330157-05-6- PubChem CID
- 71587699
- DTXSID
DTXSID30186649- UNII
- 3I5NFZ44BA
- EC Number
- 641-861-8
- Nikkaji
- J1.433.289H
物性
構造計算による物性補完中
- XLogP
- 3.3
- 極性表面積
- 107 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 6
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 1,020
物理化学的性質
- 沸点
- 583.4 · 583.4±50.0 °C(Predicted)
- 比重(密度)
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 溶解性
- Chloroform (Slightly), Methanol (Slightly)
- 外見
- Solid
- 酸解離定数(Pka)
- 11.98 · 11.98±0.70(Predicted)
- 色
- Pale Brown to Light Brown
- 安定性
- Hygroscopic
- 主な用途
- 医薬品
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H360D (50%): May damage the unborn child [Danger Reproductive toxicity]
P203, P260, P273, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesRepr. 1B (50%)
安全データ
- wgk
- WGK 3
- hs_code
- 2937220000
- Hazard Classifications
- Repr. 1BSTOT RE 2
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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