Apilimod (mesylate)

C₂₅H₃₄N₆O₈S₂CAS 870087-36-8610.70 g/mol

Open in Covalent MOL file

Ether Hydrazone Secondary amine Sulfonic acid Tertiary amine

Properties

Molecular formula: C₂₅H₃₄N₆O₈S₂
Molar mass: 610.70 g/mol
Exact mass: 610.1880 Da
logP: 2.09Crippen estimate
Polar surface area: 193.5 Å²
H-bond donors / acceptors: 3 / 12
Rotatable bonds: 8
Double bonds: EE/Z, in SMILES order

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

870087-36-8

SMILES

CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4.CS(=O)(=O)O.CS(=O)(=O)O

InChIKey

GAJWNIKZLYZYSY-OKUPSQOASA-N

InChI

InChI=1S/C23H26N6O2.2CH4O3S/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;2*1-5(2,3)4/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2*1H3,(H,2,3,4)/b25-17+;;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Apilimod mesylate

Work with Apilimod (mesylate)

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 Apilimod541550-19-0Free base, stereo not defined Dihydroergotamine mesylate6190-39-2Salt Deferoxamine mesylate138-14-7Salt Doxazosin mesylate77883-43-3Salt Benztropine mesylate132-17-2Salt Bromocriptine mesylate22260-51-1Salt Tricaine methanesulfonate886-86-2Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt

Elsewhere

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