3,5-Dibromosulfanilic acid sodium salt - CAS 78824-10-9

Catalog:	BB036250
Product Name:	3,5-Dibromosulfanilic acid sodium salt
CAS:	78824-10-9
Synonyms:	sodium;4-amino-3,5-dibromobenzenesulfonate

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Computed Properties

IUPAC Name:	sodium;4-amino-3,5-dibromobenzenesulfonate
Description:	3,5-Dibromosulfanilic acid sodium salt (CAS# 78824-10-9 ) is a useful research chemical.
Molecular Weight:	352.96
Molecular Formula:	C6H4Br2NNaO3S
Canonical SMILES:	C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/C6H5Br2NO3S.Na/c7-4-1-3(13(10,11)12)2-5(8)6(4)9;/h1-2H,9H2,(H,10,11,12);/q;+1/p-1
InChI Key:	DTJLNZLNWFJAOF-UHFFFAOYSA-M
Density:	2.253 g/cm³
MDL:	MFCD00007640
LogP:	3.35990

Publication Number	Title	Priority Date
CA-2699787-A1	(3-hydroxy-4-amino-butan-2-yl)-3-(2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating	20070924
EP-2205596-A1	(3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating	20070924
JP-2010540462-A	(3-Hydroxy-4-aminobutan-2-yl) -3- (2-thiazol-2-yl-pyrrolidin-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for therapy	20070924
JP-5055432-B2	(3-Hydroxy-4-aminobutan-2-yl) -3- (2-thiazol-2-yl-pyrrolidin-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for therapy	20070924
KR-20100059919-A	(3-hydroxy-4-amino-butan-2yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivative as a beta-secretase inhibitor for treatment And related compounds	20070924

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	352.81558
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	350.81763
Rotatable Bond Count:	1
Topological Polar Surface Area:	91.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0