Cyclohexanamine - 6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1)

Basic Information

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CAS Number

138182-20-4

Molecular Formula

C20H27ClN2O7

Molecular Weight

442.9 g/mol

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

Boiling Point

728.3 °C at 760 mmHg

Flash Point

394.2 °C

SMILES

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C1CCC(CC1)N.C1=CC2=C(C=C1Cl)NC=C2OC3C(C(C(C(O3)C(=O)O)O)O)O

InChI

InChI=1S/C14H14ClNO7.C6H13N/c15-5-1-2-6-7(3-5)16-4-8(6)22-14-11(19)9(17)10(18)12(23-14)13(20)21;7-6-4-2-1-3-5-6/h1-4,9-12,14,16-19H,(H,20,21);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1

InChIKey

CGXWVPSZSVEFAI-CYRSAHDMSA-N

LogP

1.3700999999999992

Topological Polar Surface Area

158.26000000000002 Å²

Hydrogen Bond Donor/Acceptor

7 / 9

Complexity

499

Safety Information

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Hazard Statement

Sensitiveness

Moisture Sensitive

Synonyms & References

English

6-Chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt, >=97.0% (HPLC)
cyclohexanamine (2S,3S,4S,5R,6S)-6-(6-chloro-1H-indol-3-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
AS-74300
6-Chloro-3-indolyl-
HY-137816
6-Chloro-3-indoxyl-beta-D-glucuronic acid, cyclohexylammonium salt
CS-0142229
FD10074
Rose-glucuronide CHA salt
SCHEMBL8057822
6-Chloro-3-indolyl beta-D-glucuronic acid, cyclohexylammonium salt;
6-Chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt
6-Chloro-3-indolyl b-D-glucuronide cyclohexylammonium salt
Salmon glca cyclohexylammonium salt
Salmon-glcA
AKOS026674407
A-D-glucuronide (cyclohexylammonium)
6-Chloro-3-indolyl-beta-D-glucuronic acid cyclohexylammonium salt
6-Chloro-3-indolyl- beta -D-glucuronide cyclohexylammonium salt
138182-20-4
A886298
(2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid; cyclohexanamine
(2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
C-5050
PD131216
MFCD00153940
6-Chloro-3-indolyl beta-D-glucuronic acid, cyclohexylammonium salt
6-CHLORO-3-INDOLYL-BETA-D-GLUCURONIDE CYCLOHEXYLAMMONIUM SAL
6-Chloro-3-indolyl-β-D-glucuronide cyclohexylammonium salt
Rose-glucuronide CHA salt,Salmon-glucuronide CHA salt
RED-GLUC

MDL Number

MFCD00153940

Customs Code

29389090

FAQ

What regulatory guidelines apply to Cyclohexanamine - 6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 138182-20-4)?

Cyclohexanamine - 6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 138182-20-4) falls under the scope of REACH regulations in Europe, which requires registration if manufactured or imported in quantities exceeding one ton per year. It is also regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), where it would be classified according to its hazardous properties. In the USA, the FDA and EPA may also have specific requirements for its handling and use, focusing on its potential toxicity and environmental impact.

Are there alternatives to Cyclohexanamine - 6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 138182-20-4) in synthesis?

Alternatives to Cyclohexanamine - 6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 138182-20-4) in synthesis include other indolyl derivatives with different functionalities, such as 6-halo-1H-indol-3-yl beta-D-glucopyranosiduronic acids. Commonly used alternative reagents include various halogenated indoles and other glucopyranosiduronic acid derivatives. These alternatives can provide similar or different reactivity profiles, depending on the specific synthetic needs.

What is the market or research trend for Cyclohexanamine - 6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 138182-20-4)?

Cyclohexanamine - 6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 138182-20-4) is currently in research for its potential as a bioactive compound, particularly in the field of pharmaceuticals and natural product chemistry. Market trends indicate growing interest in its synthesis and application, driven by its unique chemical structure and potential biological activities. Research is focusing on its synthesis optimization and exploring its uses in drug discovery and development.

How should waste containing Cyclohexanamine - 6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 138182-20-4) be handled?

Waste containing Cyclohexanamine - 6-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1) (CAS: 138182-20-4) should be collected in appropriate containers and handled according to the waste management regulations of the respective country. Typically, it should be treated as a hazardous waste due to its potential toxicity. Incineration at an authorized facility may be the preferred method for disposal. Environmental protection measures should include the prevention of water and soil contamination, and proper documentation of the waste management process should be maintained.