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  • 2-Anthracenesulfonicacid,1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-
Structure

2-Anthracenesulfonicacid,1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxo-

CAS
31949-65-2
Catalog Number
ACM31949652
Category
Other Products
Molecular Weight
549.59488
Molecular Formula
C28H27N3O7S

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Specification

Synonyms
EINECS 250-871-8, CID11970463, 1-Amino-4-((3-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)-4-methoxyphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 31949-65-2
IUPAC Name
1-amino-4-[4-methoxy-3-[(2-oxoazepan-1-yl)methyl]anilino]-9,10-dioxoanthracene-2-sulfonic acid
Canonical SMILES
COC1=C(C=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)CN5CCCCCC5=O
InChI Key
CUNBYQPKMZMTFZ-UHFFFAOYSA-N
Density
1.466g/cm³
EC Number
250-871-8
Exact Mass
549.15700
H-Bond Acceptor
9
H-Bond Donor
3
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