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

Basic Information

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CAS Number

114162-64-0

Molecular Formula

C20H26BrClN2O7

Molecular Weight

521.8 g/mol

EINECS

601-302-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White to off-white or colorless

Melting Point

228-230°C

Boiling Point

732.2 °C at 760 mmHg

Density

1.4241 (rough estimate)

Flash Point

396.6 °C

Solubility

DMF: soluble

Refractive Index

1.6110 (estimate)

Vapor Pressure

No data available

Specific Rotation

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

SMILES

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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

Complexity

532

Safety Information

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Stability

Hygroscopic

Sensitiveness

对光线，热和空气敏感

Synonyms & References

English

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

MDL Number

MFCD13185253

EC Number

601-302-0

Customs Code

29349990

FAQ

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

Cyclohexanaminium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate is a complex organic compound with the CAS number 114162-64-0. It is a derivative of indole and contains a cyclohexanaminium cation and a beta-D-glucopyranosiduronate anion.

What are the main uses of Cyclohexanaminium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate (CAS: 114162-64-0)?

This compound is used in pharmaceutical research for developing new drugs and as a potential lead compound. It may also be used in chemical synthesis as a reagent or intermediate.

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

The safety of this compound is not well-documented. Due to its complex structure, it may pose some risks. It is important to handle this compound in a fume hood with appropriate personal protective equipment (PPE), such as gloves and a respirator. Follow all safety guidelines and consult the Material Safety Data Sheet (MSDS) for detailed information.

How should Cyclohexanaminium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate (CAS: 114162-64-0) be stored?

Store this compound in a cool, dry place, away from direct sunlight and heat sources. Keep it in a sealed container to prevent degradation. The ideal storage temperature is below 20°C (68°F) with a maximum humidity level of 40%. Ensure the container is tightly closed to avoid contamination and exposure to air.