RefChem:73708

trisodium;4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonatonaphthalen-2-yl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonate

Also Known As: 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-((5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulfo-2-naphthalenyl)azo)-5-hydroxy-, trisodium salt|1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-(2-(5-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-1-sulfo-2-naphthalenyl)diazenyl)-5-hydroxy-, sodium salt (1:3)|1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[[5-[[ (5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl ]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-, trisodium salt|4-(Benzoylamino)-6-[[5-[[ (5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Methyl ]-1-Sulfo-2-Naphthalenyl]Azo]-5-Hydroxy-1,7-Naphthalenedisulfonic Acid Trisodium Salt|5-(((2,4-Difluoro-5-chloropyrimid-6-yl)amino)methyl)-2-((4-(benzoylamino)-5-hydroxy-1,7-disulfonaphth-6-yl)azo)-1-naphthalenesulfonic acid, trisodium salt|1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]azo]-5-hydroxy-, trisodium salt|1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[2-[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-1-sulfo-2-naphthalenyl]diazenyl]-5-hydroxy-, sodium salt (1:3)|methyl 4-[(4-{[(4-(methoxycarbonyl)phenyl)amino]carbonyl}benzoyl)amino]benzoate|4-(BENZOYLAMINO)-6-[[5-[[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]METHYL]-1-SULFO-2-NAPHTHALENYL]AZO]-5-HYDROXY-1,7-NAPHTHALENEDISULFONIC ACID TRISODIUM SALT|trisodium (6E)-4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonatonaphthalen-2-yl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonate|Trisodium 4-benzamido-6-[(5-{[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl}-1-sulfonatonaphthalen-2-yl)diazenyl]-5-hydroxynaphthalene-1,7-disulfonate|trisodium,(6Z)-4-benzamido-6-[[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-1-sulfonatonaphthalen-2-yl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonate

Molecular Formula	C32H18ClF2N6Na3O11S3
Molecular Weight	899.9545 g/mol
LogP	-3.5757
Topological Polar Surface Area	309.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	18
Rotatable Bonds	7
Exact Mass	899.9545
Monoisotopic Mass	899.9545
Heavy Atoms	58
Complexity	1690.0

Chemical Identifiers

CAS Number	73019-06-4
SMILES	C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C5=CC=CC(=C5C=C4)CNC6=C(C(=NC(=N6)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChIKey	APRKZKNAJWBWFY-UHFFFAOYSA-K