AG001IYF

144110-43-0 | 5-Bromo-6-chloro-3-indolyl-d-glucuronide cyclohexylammonium salt

AG001IYF

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CAS Number	144110-43-0
Catalog Number	AG001IYF(AGN-PC-0PV1LL)
Chemical Name	5-Bromo-6-chloro-3-indolyl-d-glucuronide cyclohexylammonium salt
IUPAC Name	(2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;cyclohexanamine
InChI	InChI=1S/C14H13BrClNO7.C6H13N/c15-5-1-4-7(2-6(5)16)17-3-8(4)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/t9-,10-,11+,12-,14+;/m0./s1
InChI Key	HGZDFBMYVMPFHR-CYRSAHDMSA-N
MDL Number	MFCD00153929
Molecular Formula	C20H26BrClN2O7
Molecular Weight	521.7866
SMILES	NC1CCCCC1.O[C@@H]1[C@@H](O)[C@H](Oc2c[nH]c3cc(Cl)c(Br)cc23)O[C@@H]([C@H]1O)C(O)=O
Synonyms	Magenta glucuronide, 144110-43-0, 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt, Magenta-GlcA, magenta-beta-d-glca, AC1MBZNF, MFCD00153929, X-glucuronide CHA salt, magenta-glucuro cha salt, Magenta™ glucuronide, magenta(tm)-beta-d-glca chx, BIMB1302, SCHEMBL2343473, ZX-AFC000457, magenta glca cyclohexylammonium salt, magenta-beta-d-glucuronide chx-salt, AKOS026674357, 5-Bromo-6-chloro-3-indolyl |A-D-glucuronide cyclohexylammonium salt, 5-Bromo-6-chloro-3-indolyl beta-D-glucuronide cyclohexylammonium salt, K-4623, 110B430, magentar-beta-d-glucuronide, cyclohexylammonium salt, magenta(tm)-beta-d-glucuronide cyclohexylammonium salt, 5-Bromo-6-chloro-3-indoxyl-beta-D-glucuronic acid cyclohexylamin, (5-Bromo-6-chloro-3-indolyl)-|A-D-glucuronide cyclohexylammonium salt, 99%, 5-Bromo-4-chloro-3-indolyl b-D-glucuronide cyclohexylammonium salt monohydrate, 5-Bromo-6-chloro-3-indolyl beta-D-glucuronide cyclohexylammonium salt, >=98%, (2S,3S,4S,5R,6S)-6-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid; cyclohexanamine, cyclohexanamine (2S,3S,4S,5R,6S)-6-(5-bromo-6-chloro-1H-indol-3-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate, X-GlcA, 6-bromo-2-fluoropyridine, MFCD00058543, CID2733774, CID 2733774, 5-bromo-4-chloro-3-indolyl b-d-glucuronide cyclohexylammonium salt, 114162-64-0, 5-Bromo-6-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt, 98% - 10MG 10mg, 5-Bromo-6-chloro-3-indolyl-beta-D-glucuronide cyclohexylammonium salt, 99% - 10MG 10mg,

Complexity	532
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	520.061g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	521.789g/mol
Monoisotopic Mass	520.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	158A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

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