Cyclohexanaminium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate（CAS番号：114162-64-0）

Cyclohexanaminium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate

基本情報

編集器で閲覧

CAS番号

114162-64-0

分子式

C20H26BrClN2O7

分子量

521.8 g/mol

EINECS

601-302-0

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エーテル類

基礎化学原料有機化学品アミン類

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

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

物理状態

White to off-white or colorless

融点

228-230°C

沸点

732.2 °C at 760 mmHg

密度

1.4241 (rough estimate)

引火点

396.6 °C

溶解度

DMF: soluble

屈折率

1.6110 (estimate)

蒸気圧

No data available

比旋光度

-87～-94°(20℃/D)(c=1,H2O-DMF)(calculated on the dehydrous basis)

SMILES

編集器で閲覧

C1CCC(CC1)N.C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)O)O)O)O)Cl)Br

InChI

InChI=1S/C14H13BrClNO7.C6H13N/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;7-6-4-2-1-3-5-6/h1-3,9-12,14,17-20H,(H,21,22);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1

InChIKey

JXCKZXHCJOVIAV-CYRSAHDMSA-N

LogP

2.83290

複雑度

532

安全情報

安全情報を表示

安定性

Hygroscopic

感度

对光线，热和空气敏感

同義語と引用データ

英語

X-Beta-d-glcua dcha h2o
5-Bromo-4-chloro-3-indolyl beta-D-glucuronic acid cyclohexylammonium salt
X-GlcA, reagent for selection of recombinant bacterial clones
cyclohexanamine (2S,3S,4S,5R,6S)-6-(5-bromo-4-chloro-1H-indol-3-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
114162-64-0
5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt
B-7300
(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid; cyclohexanamine
5-Bromo-4-chloro-3-indolyl beta-D-glucuronide cyclohexylammonium salt, tablet
5-Bromo-4-chloro-3-indolyl-B-D-glucuronic acid cyclohexylammonium salt
PD165827
SCHEMBL1254607
AS-74628
(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
CS-0019449
Cyclohexanamine (2S,3S,4S,5R,6S)-6-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
XGLUC Cyclohexylammonium Salt
Cyclohexanamine(2S,3S,4S,5R,6S)-6-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
AKOS022186527
5-Bromo-4-chloro-3-indolyl Beta-D-glucuronide, Cyclohexylammonium Salt
HY-15935B
DTXSID10921292
5-Bromo-4-chloro-3-indolyl beta-D-glucuronide cyclohexylammonium salt
5-BROMO-4-CHLORO-3-INDOLYL B-D-
AC-24655
X-Gluc (cyclohexanamine)
5-Bromo-4-chloro-3-indoxyl-beta-D-glucuronic acid, cyclohexylammonium salt monohydrate
5-BROMO-4-CHLORO-3-INDOLYL-β-D-GLUCORONIDE CYCLOHEXYLAMMONIUM SALT
5-Bromo-4-chloro-3-indoxyl-beta-D-glucuronide
5-Bromo-4-chloro-3-indoxyl-β-D-glucuronic acid, cyclohexylammonium salt monohydrate
5-BroMo-4-chloro-1H-indol-3-yl β-D-Glucopyranosiduronic Acid MonosodiuM Salt