Sodium 5-bromo-4-chloro-1H-indol-3-yl (6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonate（CAS号：160369-85-7）

5-溴-4-氯-3-吲哚基-alpha-D-N-乙酰神经氨酸钠盐

基本信息

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CAS号

160369-85-7

分子式

C19H21BrClN2NaO9

分子量

559.7 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

183°C dec.

SMILES

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CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OC2=CNC3=C2C(=C(C=C3)Br)Cl)O.[Na+]

InChI

InChI=1S/C19H22BrClN2O9.Na/c1-7(25)23-15-10(26)4-19(18(29)30,32-17(15)16(28)11(27)6-24)31-12-5-22-9-3-2-8(20)14(21)13(9)12;/h2-3,5,10-11,15-17,22,24,26-28H,4,6H2,1H3,(H,23,25)(H,29,30);/q;+1/p-1/t10-,11+,15+,16+,17+,19+;/m0./s1

InChIKey

MNWWXEDVLXNFDD-GNZCRVNMSA-M

LogP

-0.83170

复杂度

712

安全信息

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危险说明

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

稳定性

Moisture, Temperature sensitive

同义词与引用数据

英文

5-Bromo-4-chloro-3-indoxyl-alpha-D-N-acetylneuraminic acid, sodium salt
5-Bromo-4-chloro-3-indolyl-Alpha-D-N-acetylneuraminic Acid, Sodium Salt
N-Acetyl-2-O-(5-bromo-4-chloro3-indolyl)-alpha-D-neuraminic Acid Sodium Salt
HY-32264
X-NeuNAc
EX-A8200
5-Bromo-4-chloro-3-indolyl alpha -D-N-acetylneuraminic acid sodium salt
5-Bromo-4-chloro-3-indolyl alpha-D-N-acetylneuraminic acid sodium salt
X-Neu5Ac
MFCD01310489
5-Bromo-4-chloro-3-indolyl N-acetyl-a-D-neuraminic acid sodium salt
B-7040
AS-74019
AKOS027383963
alpha-Neuraminic acid, N-acetyl-2-O-(5-bromo-4-chloro-1H-indol-3-yl)-, sodium salt (1:1)
5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid sodium salt
AC-33213
Sodium (2S,4S,5R,6R)-5-acetamido-2-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylate
160369-85-7
5-BROMO-4-CHLORO-3-INDOLYL--D-N-ACETYLNEURAMINIC ACID, SODIUM SALT
CS-0769
5-Bromo-4-chloro-3-indolyl
SODIUM (2S,4S,5R,6R)-2-[(5-BROMO-4-CHLORO-1H-INDOL-3-YL)OXY]-5-ACETAMIDO-4-HYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLATE
MFCD00792680
sodium;(2S,4S,5R,6R)-5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
A-D-N-acetylneuraminic acid sodium salt (X-NeuNAc)
5-Bromo-4-chloro-3-indolyl α-D-N-acetylneuraminic acid sodium salt (X-NeuNAc)
5-Bromo-4-chloro-3-indolyl α-D-N-acetylneuraminic acid sodium salt
5-BROMO-4-CHLORO-3-INDOLYL-A-D-N-ACETYLNEURAMINIC ACID, SODIUM SALT
5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid(sodium salt)
5-Bromo-4-chloro-3-indolyl-α-D-N-acetylneuraminic Acid, Sodium Salt