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

C29H26N2O10SCAS 115853-74-2594.59 g/mol

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OON+OONOOOSOOO−
AmideEsterLactam

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Basic blue 4112270-13-2Salt Proserine51-60-5Salt Basic yellow 2854060-92-3Salt Diphemanil methyl sulfate62-97-5Salt Phenazine methosulfate299-11-6Salt 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2)2074-50-2Salt Behentrimonium methosulfate81646-13-1Salt 1-Methoxyphenazine methosulfate65162-13-2Salt Amezinium metilsulfate30578-37-1Salt Potassium monomethylsulfate562-54-9Salt Sodium methyl sulfate512-42-5Salt Tiemonium methosulfate6504-57-0Salt

Similar compounds

2',6'-Dimethylcarbonylphenyl-10-sulfopropylacridinium-9-carboxylate 4'-nhs ester194357-64-765 % similar 2,5-Dioxopyrrolidin-1-yl benzoate23405-15-436 % 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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