Deferoxamine mesylate

C₂₆H₅₂N₆O₁₁SCAS 138-14-7656.79 g/mol

Open in Covalent MOL file

Amide Primary amine Sulfonic acid

Properties

Molecular formula: C₂₆H₅₂N₆O₁₁S
Molar mass: 656.79 g/mol
Exact mass: 656.3415 Da
Melting point: 148–149 °C
logP: 2.11Crippen estimate
Polar surface area: 267.2 Å²
H-bond donors / acceptors: 7 / 11
Rotatable bonds: 23

Hazards

Danger

H315 Causes skin irritation60% of notifiers
H317 May cause an allergic skin reaction70% of notifiers
H319 Causes serious eye irritation60% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled60% of notifiers
H335 May cause respiratory irritation60% of notifiers
H341 Suspected of causing genetic defects40% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

138-14-7

SMILES

CC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O

InChIKey

IDDIJAWJANBQLJ-UHFFFAOYSA-N

InChI

InChI=1S/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4)

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

Names and synonyms

19 names · show all

NSC 644468
Butanediamide, N4-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N1-(5-aminopentyl)-N1-hydroxy-, methanesulfonate (1:1)
Propionohydroxamic acid, N-[5-[3-[(5-aminopentyl)hydroxycarbamoyl]propionamido]pentyl]-3-[[5-(N-hydroxyacetamido)pentyl]carbamoyl]-, monomethanesulfonate (salt)
Butanediamide, N′-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-, monomethanesulfonate (salt)
Propionohydroxamic acid, N-[5-[3-[(5-aminopentyl)hydroxycarbamoyl]propionamido]pentyl]-3-[[5-(N-hydroxyacetamido)pentyl]carbamoyl]-, methanesulfonate
Desferrioxamine methanesulfonate
Desferrioxamine B mesylate
Desferrioxamine B methanesulfonate
Deferoxamine B mesylate
Deferrioxamine methanesulfonate
Desferrioxamine mesylate
Desferal mesylate
Desferal
Deferrioxamine B methanesulfonate
Deferoxamine methanesulfonate
DFOM
Ba 33112
DFX mesylate
Desferrioxamine mesilate

Work with Deferoxamine 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 Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt Nafamostat mesylate82956-11-4Salt Nelfinavir mesylate159989-65-8Salt

Similar compounds

Pramiracetam68497-62-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook