chempirical

Ly2228820

C26H37FN6O6S2CAS 862507-23-1612.74 g/mol

Open in Covalent MOL file
NNNHNFNH2NSOOOHSOOOH
Aryl halidePrimary amineSulfonic acid

Properties

Molecular formula
C26H37FN6O6S2
Molar mass
612.74 g/mol
Exact mass
612.2200 Da
logP
4.56Crippen estimate
Polar surface area
194.1 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
862507-23-1
SMILES
CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C(C)(C)C)C4=CC=C(C=C4)F)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O
InChIKey
NARMJPIBAXVUIE-UHFFFAOYSA-N
InChI
InChI=1S/C24H29FN6.2CH4O3S/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6;2*1-5(2,3)4/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30);2*1H3,(H,2,3,4)

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Names and synonyms

1 names
  • Ralimetinib mesylate

Work with Ly2228820

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.

Methanesulfonic acid75-75-2Free acid Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Bromocriptine mesylate22260-51-1Salt Tricaine methanesulfonate886-86-2Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Pergolide mesylate66104-23-2Salt Phentolamine methanesulfonate65-28-1Salt

Elsewhere

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