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Home > Encyclopedia > 1-Amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

1-Amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

1-Amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid structure

1-Amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid 

structure
  • CAS No:

    68413-53-6

  • Formula:

    C26H18ClF2N5O8S2

  • Chemical Name:

    1-Amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

  • Synonyms:

    2-Anthracenesulfonic acid,1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-;1-Amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid

1-Amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid Basic Attributes

666.0296264

666.03

270-225-9

DTXSID8071514

Characteristics

238.73000

6.16100

1.77g/cm3

1.727

1-Amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid Use and Manufacturing

2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-: INACTIVE

Computed Properties

Molecular Weight:666.0
XLogP3:4.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:665.0253389
Monoisotopic Mass:665.0253389
Topological Polar Surface Area:236
Heavy Atom Count:44
Complexity:1320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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