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Reference substances

Reference substances

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General information

Inventory

EC number:
252-547-1
EC name:
Benzyl[3-[[9,10-dihydro-4-[isopropylamino]-9,10-dioxo-1-anthryl]amino]propyl]dimethylammonium chloride
CAS number:
35402-38-1

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Reference substance information

IUPAC name:
N-benzyl-3-{[4-(isopropylamino)-9,10-dioxo-9,10-dihydroanthracen-1-yl]amino}-N,N-dimethylpropan-1-aminium chloride
Synonyms
Names:
Benzenemethanaminium, N-[3-[[9,10-dihydro-4-[(1- methylethyl)amino]-9,10-dioxo-1-anthracenyl]amino ]propyl]-N,N-dimethyl-, chloride
Benzenemethanaminium, N-[3-[[9,10-dihydro-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthracenyl]amino]propyl]-N,N-dimethyl-, chloride

CAS information

CAS number:
35402-38-1

Molecular and structural information

Molecular formula:
C29H34N3O2.Cl
Molecular weight:
492.052
SMILES notation:
[Cl-].CC(C)Nc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c3C(=O)c4ccccc4C(=O)c13
InChl:
InChI=1/C29H33N3O2.ClH/c1-20(2)31-25-16-15-24(26-27(25)29(34)23-14-9-8-13-22(23)28(26)33)30-17-10-18-32(3,4)19-21-11-6-5-7-12-21;/h5-9,11-16,20H,10,17-19H2,1-4H3,(H-,30,31,33,34);1H
Structural formula:
Chemical structure