6'-Dimethyl-4'-(N-succinimidyloxycarbonyl)phenyl-10-methyl-acridinium-9-carboxylate methosulfate (dmae-nhs)

C₂₉H₂₆N₂O₁₀SCAS 115853-74-2594.59 g/mol

Open in Covalent MOL file

Amide Ester Lactam

Properties

Molecular formula: C₂₉H₂₆N₂O₁₀S
Molar mass: 594.59 g/mol
Exact mass: 594.1308 Da
logP: 2.97Crippen estimate
Polar surface area: 160.3 Å²
H-bond donors / acceptors: 0 / 10
Rotatable bonds: 5

Identifiers

CAS number

115853-74-2

SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)C)C(=O)ON5C(=O)CCC5=O.COS(=O)(=O)[O-]

InChIKey

YFWUSGGASJSGPZ-UHFFFAOYSA-M

InChI

InChI=1S/C28H23N2O6.CH4O4S/c1-16-14-18(27(33)36-30-23(31)12-13-24(30)32)15-17(2)26(16)35-28(34)25-19-8-4-6-10-21(19)29(3)22-11-7-5-9-20(22)25;1-5-6(2,3)4/h4-11,14-15H,12-13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

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Names and synonyms

1 names

ME-Dmae-nhs

Work with 6'-Dimethyl-4'-(N-succinimidyloxycarbonyl)phenyl-10-methyl-acridinium-9-carboxylate methosulfate (dmae-nhs)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenazine methosulfate299-11-640 % similar 1-Methoxyphenazine methosulfate65162-13-235 % similar Diphemanil methyl sulfate62-97-533 % similar 3-[9-(((3-(N-Succinimidyloxycarboxypropyl)[4-methxylphenyl]sulfonyl)amine)carboxyl]-10-acridiniumyl)-1-propanesulfonate inner salt (nsp-sa-nhs)199293-83-932 % similar M-Maleimidobenzoyl-N-hydroxysuccinimide58626-38-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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