114162-64-0 , 5-Bromo-4-chloro-3-indolyl b-D-glucuronide cyclohexylammonium salt monohydrate,X-Glucuronide

Cas:114162-64-0 ,
5-Bromo-4-chloro-3-indolyl b-D-glucuronide cyclohexylammonium salt monohydrate,X-Glucuronide;
X-GlcA; X-beta-D-glucuronide cyclohexylammonium salt; X-beta-D-GlcA CHX salt
C14H13BrClNO7·C6H13N·H2O / 539.80
MFCD00058543

5-Bromo-4-chloro-3-indolyl b-D-glucuronide cyclohexylammonium salt monohydrate,X-Glucuronide

X-GlcA; X-beta-D-glucuronide cyclohexylammonium salt; X-beta-D-GlcA CHX salt

Chromogenic substrate for β-glucuronidase that is converted by the enzyme into an intense blue prepicitate. Used for the detection of the Gus gene in bacterial colonies.

CAS Number	114162-64-0
Product Name	Cyclohexanamine (2S,3S,4S,5R,6S)-6-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
IUPAC Name	6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate;cyclohexylazanium
Molecular Formula	C₂₀H₂₆BrClN₂O₇
Molecular Weight	521.8 g/mol
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
InChI Key	JXCKZXHCJOVIAV-UHFFFAOYSA-N
SMILES	C1CCC(CC1)[NH3+].C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br
Synonyms	5-bromo-4-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt, 5-bromo-4-chloro-3-indolylglucuronide, BCI-3 Glud
Canonical SMILES	C1CCC(CC1)[NH3+].C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br
Isomeric SMILES	C1CCC(CC1)N.C1=CC(=C(C2=C1NC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br