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DIRECT BLUE 15

CAS No.:
2429-74-5
Catalog Number:
AG003PQN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003PQN
Chemical Name:
DIRECT BLUE 15
CAS Number:
2429-74-5
MDL Number:
MFCD00036441
IUPAC Name:
tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
InChI:
InChI=1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChI Key:
OLSOUGWNONTDCK-UHFFFAOYSA-J
EC Number:
219-385-3
UNII:
5C44C6888V
Properties
Complexity:
1830  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
991.972g/mol
Formal Charge:
0
Heavy Atom Count:
64  
Hydrogen Bond Acceptor Count:
22  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
992.791g/mol
Monoisotopic Mass:
991.972g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
423A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Chemical-induced atrial thrombosis in NTP rodent studies. Toxicologic pathology 20050101
Transformation of BALB/c-3T3 cells: IV. Rank-ordered potency of 24 chemical responses detected in a sensitive new assay procedure. Environmental health perspectives 19930701
Sulfonic acid dyes: inhibition of the human immunodeficiency virus and mechanism of action. Journal of acquired immune deficiency syndromes 19920101
Properties