370100-64-4, 5-溴-4-氯-3-吲哚基-beta-D-葡糖苷酸钠, X-GlcA Na, CAS:370100-64-4

X-Glucuronide trihydrate
X-GlcA Na
, 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt,
CAS:370100-64-4
C14H12BrClNNaO7·3H2O / 498.64
MFCD01861962

5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt trihydrate

5-溴-4-氯-3-吲哚基-beta-D-葡糖苷酸钠

CAS No: 370100-64-4,129541-41-9 Synonyms: X-Glucuronide trihydrateX-GlcA Na MDL No: MFCD01861962

Chemical Formula: C14H12BrClNNaO7·3H2O Molecular Weight: 498.64

CAS Number	129541-41-9; 370100-64-4
Product Name	5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt
IUPAC Name	sodium;6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
Molecular Formula	C14H12BrClNNaO7
Molecular Weight	444.59
InChI	InChI=1S/C14H13BrClNO7.Na/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;/h1-3,9-12,14,17-20H,(H,21,22);/q;+1/p-1
InChI Key	IBLSVGDGSKUDCT-UHFFFAOYSA-M
SMILES	C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]

COA:

Product name: 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt

M.F.: C₁₄H₁₂BrClNNaO₇.XH₂O M.W._:498.64

Batch No: 20120425 Quantity: 10g

*Items*	*Standards*	*Results*
Appearance	White to off-white powder	Complies
Solubility	Soluble in hot water, insoluble in ether	Complies
NMR and MS	Should comply	Comply
Identification	IR and HPLC	Complies
Water (K.F.)	Max. 10%	6.7%
Heavy metal	Max. 20ppm	Complies
Residue on ignition	Max. 0.5%	0.1%
TLC	One spot	One spot
Assay by HPLC	Min. 98%	98.3%