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6-Chloro-3-indolyl-β-D-Glucuronide CHA

CAT: 0013-GTR19170839-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170839-01Size:10 mg
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Description
This chromogenic substrate, 6-Chloro-3-indolyl-β-D-glucuronide cyclohexylammonium salt, is used to detect β-glucuronidase activity. It is widely applied in histochemical staining for both in vitro assays and in vivo research, including studies of gene expression and bacterial reporter systems.
CAS Number
138182-20-4
Product Name Alternative
Cyclohexylammonium, 6-Chloro-3-indolyl-b-D-Glucuronide, 6-Chloro-3-indolyl-beta-D-Glucuronide, 6-Chloro-3-indolyl-β-D-Glucuronide, 6Chloro3indolylβDGlucuronide (cyclohexylammonium salt), 16beta-Methyl-16alpha,17alpha-epoxypregnenolone, 6 Chloro 3 indolyl β D Glucuronide (cyclohexylammonium salt), β-glucuronidase
Purity
97.32% (May vary between batches)
Solubility
DMSO:55 mg/mL (124.18 mM) ; DMSO:PBS (pH 7.2) (1:1) :0.5 mg/mL (1.13 mM)
Smiles
NC1CCCCC1.O[C@@H]1[C@@H] (O) [C@H] (Oc2c[nH]c3cc (Cl) ccc23) O[C@@H] ([C@H]1O) C (O) =O
Molecular Formula
C20H27ClN2O7
Molecular Weight
442.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt
CAS Number138182-20-4
PubChem CID16211694
IUPAC Name(2S,3S,4S,5R,6S)-6-[(6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
Molecular FormulaC20H27ClN2O7
Molecular Weight442.9
Topological Polar Surface Area158
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity499
SMILES
C1CCC(CC1)N.C1=CC2=C(C=C1Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](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
Chemical Structure
2D Structure
2D structure of 6-Chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt
CAS: 138182-20-4
CID: 16211694
Formula: C20H27ClN2O7
MW: 442.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass442.1506789
Monoisotopic Mass442.1506789
Topological Polar Surface Area158 Ų
Heavy Atom Count30
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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