(11beta,16alpha)-21-Acetoxy-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 2-furoate（CAS番号：83880-70-0）

(11beta,16alpha)-21-Acetoxy-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 2-furoate

基本情報

編集器で閲覧

CAS番号

83880-70-0

分子式

C29H33FO8

分子量

528.57 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品ケトン類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

精密化学品特殊化学品紫外線安定剤

農業化学品農薬除草剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

SMILES

編集器で閲覧

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C5=CC=CO5)C)O)F)C

InChI

InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1

InChIKey

DDIWRLSEGOVQQD-BJRLRHTOSA-N

LogP

3.9242000000000035

トポロジカル極性表面積

120.11000000000001 Å²

水素結合ドナー/アクセプター

1 / 8

複雑度

1130

同義語と引用データ

英語

CHEMBL1697787
W4N6E1T46B
Dexamethasone acefurate
NS00120945
DTXSID3022900
Q27292297
Dexamethasone acefurate (USAN/INN)
SCH-31353
9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate 17-(2-furaoate)
DEXAMETHASONE ACEFURATE [USAN]
SCHEMBL139744
[(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
(11beta,16alpha)-21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-17-((2-furanylcarbonyl)oxy)-11-hydroxy-16-methyl-, (11beta,16alpha)-
CHEBI:135819
PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-FLUORO-17-((2-FURANYLCARBONYL)OXY)-11-HYDROXY-16-METHYL-, (11.BETA.,16.ALPHA.)-
83880-70-0
DEXAMETHASONE ACEFURATE [INN]
UNII-W4N6E1T46B
D02591
Sch 31353
Dexamethasone acefurate [USAN:INN]
9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate 17-(2-furoate)
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-17-((2-furanylcarbonyl)oxy)-11-hydroxy-16-methyl-, (11 beta,16 alpha)-
Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9-fluoro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-, (11b,16a)- (9CI)
dexamethasone acefurate
9α-fluoro-16α-methyl-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione 17-(2\'-furoate) 21-acetate