CAS
84100-68-5 Purity
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84100-68-5 Purity
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2-Anthracenesulfonicacid,1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,sodium salt(1:2)
CAS
84100-75-4
Catalog Number
ACM84100754
Category
Other Products
Molecular Weight
709.9933
Molecular Formula
C26H18ClF2N5O8S2.2Na
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Specification
Synonyms
EINECS 282-155-6, CID11970798, 84100-75-4, Disodium 1-amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
IUPAC Name
disodium 1-amino-4-[2-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-4-methyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Canonical SMILES
CC1=C(C=C(C(=C1)CNC2=C(C(=NC(=N2)F)F)Cl)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI Key
GUVLYNFQTSNHHF-UHFFFAOYSA-L
Density
g/cm³
EC Number
282-155-6
Exact Mass
708.98900
H-Bond Acceptor
15
H-Bond Donor
3
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