2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3- (benzoylamino)-2-methylpropanoate（CAS番号：31002-79-6）

2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 3- (benzoylamino)-2-methylpropanoate

基本情報

編集器で閲覧

CAS番号

31002-79-6

分子式

C35H42FNO8

分子量

623.72 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

融点

203-207°

比旋光度

D20 +96 ±3° (c = 1 in ethanol)

SMILES

編集器で閲覧

CC(CNC(=O)C1=CC=CC=C1)C(=O)OCC(=O)C23C(CC4C2(CC(C5(C4CCC6=CC(=O)C=CC65C)F)O)C)OC(O3)(C)C

InChI

InChI=1S/C35H42FNO8/c1-20(18-37-29(41)21-9-7-6-8-10-21)30(42)43-19-27(40)35-28(44-31(2,3)45-35)16-25-24-12-11-22-15-23(38)13-14-32(22,4)34(24,36)26(39)17-33(25,35)5/h6-10,13-15,20,24-26,28,39H,11-12,16-19H2,1-5H3,(H,37,41)/t20?,24-,25-,26-,28+,32-,33-,34-,35+/m0/s1

InChIKey

GUYPYYARYIIWJZ-CYEPYHPTSA-N

LogP

4.035800000000003

トポロジカル極性表面積

128.23 Å²

水素結合ドナー/アクセプター

2 / 9

複雑度

1340

同義語と引用データ

英語

31002-79-6
Triamcinoloni benetonidum
CS-6543
TRIAMCINOLONE ACETONIDE 21-(BENZOYL-.BETA.-AMINOISOBUTYRATE)
Tibicorten
Q27272414
TRIAMCINOLONE BENETONIDE [WHO-DD]
CHEMBL2105798
9-FLUORO-11.BETA.,16.ALPHA.,17,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE CYCLIC 16,17-ACETAL WITH ACETONE 21-ESTER WITH N-BENZOYL-2-METHYL-.BETA.-ALANINE
DTXSID601026586
9DXL8A82MI
Triamcinolone benetonide [INN]
TRIAMCINOLONE BENETONIDE [MI]
NS00049936
triamcinolone benetonide
Pregna-1,4-diene-3,20-dione,21-[3-(benzoylamino)-2-methyl-1-oxopropoxy]-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11b,16a)-
EINECS 250-427-3
Triamcinolona benetonido [INN-Spanish]
CHEBI:135852
AKOS040740449
Triamcinoloni benetonidum [INN-Latin]
W-106921
Triamcinolona benetonido
9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone 21-ester with N-benzoyl-2-methyl-beta-alanine
HY-U00043
UNII-9DXL8A82MI
[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-benzamido-2-methylpropanoate
SCHEMBL7149
Triamcinolone benetonide
Pregna-1,4-diene-3,20-dione,9-fluoro-11b,16a,17,21-tetrahydroxy-, cyclic 16,17-acetal withacetone, 21-ester with N-benzoyl-2-methyl-b-alanine (8CI)
TBI