2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
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![2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6a806dd868e5401db5fbdd1af2d2dd17.png "2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)")
2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
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CAS No:
149530-93-8
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Formula:
C26H19ClFN5O8S2.2Na
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Chemical Name:
2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
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Synonyms:
2-Anthracenesulfonic acid,1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,sodium salt (1:2);2-Anthracenesulfonic acid,1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-,disodium salt
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CAS No:
2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2) Basic Attributes
691.997
690.999
414-040-5
Safety Information
22-43
22-24-37
Xn
P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P501
H302
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501
2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2) Use and Manufacturing
2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2): INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:692.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:5
Exact Mass:690.9986493
Monoisotopic Mass:690.9986493
Topological Polar Surface Area:241
Heavy Atom Count:45
Complexity:1260
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-6-fluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
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