AG000Z6S

129541-41-9 | 5-Bromo-4-chloro-3-indolyl-beta-d-glucuronide sodium salt

AG000Z6S

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CAS Number	129541-41-9
Catalog Number	AG000Z6S(AGN-PC-0PIZ5G)
Chemical Name	5-Bromo-4-chloro-3-indolyl-beta-d-glucuronide sodium salt
EC Number	603-339-8
IUPAC Name	sodium;(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
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/t9-,10-,11+,12-,14+;/m0./s1
InChI Key	IBLSVGDGSKUDCT-CYRSAHDMSA-M
MDL Number	MFCD01861962
Molecular Formula	C14H12BrClNNaO7
Molecular Weight	444.5943
SMILES	O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=CNC3=C2C(Cl)=C(Br)C=C3)O1)[O-].[Na+]
Synonyms	129541-41-9, 5-Bromo-4-chloro-3-indolyl-b-D-glucuronide sodium salt, 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt, 370100-64-4, 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt, 5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt, MFCD00135782, 5-Bromo-4-chloro-3-indolyl |A-D-glucuronide sodium salt, 5-Bromo-4-chloro-3-indoxyl-beta-D-glucuronic acid, sodium salt, X-glucuronide, BC-Indicator, bcig sodium salt, 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt trihydrate, bci-glucuro, sodium salt, C14H12BrClNO7.Na, BIMB1121, SCHEMBL2707818, CTK8E6649, X-beta-D-glucuronide sodium salt, ZX-AFC000542, bci-beta-d-glucuronide, sodium salt, AKOS016010008, KS-0000133O, AK112887, AS-11184, AX8102931, RT-010225, FT-0620135, W0440, 5-bromo-4-chloro-3-indolyl-beta-d-glucuronide na salt, jikasBIJlDmV}AbDbAzC^GJSL}m|lvrLyKT\pPESUUTtUPry|q\h@, 370100-64-4 (.3H2O), 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt hydrate, 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronic acid sodium salt, 5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt, >=98%, 5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt, tablet, Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate, 5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt, >=98% (TLC), 5-Bromo-4-chloro-3-indolylbeta-D-GlucuronideSodiumSalt[forBiochemicalResearch], X-GlcA, Jikasbijldmv}abdbazc^gjsl}m, CID2733772, 5-bromo-4-chloro-3-indolyl-beta-d-glucuronic acid, 5-BROMO-4-CHLORO-3-INDOLYLBETA-D-GLUCURONIDESODIUMSALT, 5-Bromo-4-chloro-3-indolyl-b-D-Glucuronic acid sodium salt trihydrate, 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt trihydrate, 98% - 250MG 250mg,

Complexity	492
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	442.938g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	444.594g/mol
Monoisotopic Mass	442.938g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	135A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number