1-Amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
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![1-Amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4e9ec473d3b7468d9f49fcd1ce6c7464.png "1-Amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid")
1-Amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
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CAS No:
31949-65-2
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Formula:
C28H27N3O7S
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Chemical Name:
1-Amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
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Synonyms:
2-Anthracenesulfonic acid,1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-;2-Anthracenesulfonic acid,1-amino-4-[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-p-anisidino]-9,10-dihydro-9,10-dioxo-;1-Amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
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CAS No:
1-Amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid Basic Attributes
549.59488
549.59
250-871-8
DTXSID40185784
Computed Properties
Molecular Weight:549.6
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:549.15697138
Monoisotopic Mass:549.15697138
Topological Polar Surface Area:165
Heavy Atom Count:39
Complexity:1050
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
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