Grundinformationen
- Standard-SMILES
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O- InChIKey
IDDIJAWJANBQLJ-UHFFFAOYSA-N- Summenformel
- C26H52N6O11S
- Durchschnittliche Molmasse
- 656,8 g/mol
- Monoisotopische Masse
- 656,34147748
Überblick
Deferoxamine Mesylate is the mesylate salt of an iron-chelating agent that binds free iron in a stable complex, preventing it from engaging in chemical reactions. Deferoxamine chelates iron from intra-lysosomal ferritin and ferrioxamine, a water-soluble complex excreted by the kidneys and in the feces via the bile. This agent does not readily chelate iron bound to transferrin, hemoglobin, myoglobin or cytochrome.
Namen und Bezeichner
- Bevorzugter Name
- Deferoxamine Mesylate
- IUPAC
- N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;methanesulfonic acid
Namen und Synonyme
Deferoxamine mesylate138-14-7DesferalDesferrioxamine B mesylateDeferoxamine mesilateDesferrioxamine mesylateDeferoxamine methanesulfonateDesferal mesylateDeferoxamine B mesylateDESFERRIOXAMINE MESILATEDesferrioxamine methanesulfonateDTXSID6037649
Weitere Namen anzeigen
V9TKO7EO6KDeferoxamini mesilasNSC-756718Desferrioxamine B methanesulfonateBa-33112DTXCID4017649NSC644468CHEBI:31460
Datenbank-Bezeichner
- CAS
138-14-7- PubChem CID
- 62881
- DTXSID
DTXSID6037649- ChEMBL
CHEMBL1234- UNII
- V9TKO7EO6K
- EC Number
- 205-314-3
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 269 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 23
- Schwere Atome
- 44
- Formalladung
- 0
- Komplexität
- 832
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section221.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.
Danger
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
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, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationDesferrioxamine B mesylate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Butanediamide, N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-, monomethanesulfonate (salt): Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (60%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Deferoxamine mesylate
vLess-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
DEFEROXAMINE MESYLATE
Iron Chelating Activity [MoA]; Iron Chelator [EPC]
MeSH Pharmacological ClassificationLow-molecular-weight compounds produced by microorganisms that aid in the transport and sequestration of ferric iron. (The Encyclopedia of Molecular Biology, 1994)
Zugehörige Reaktionen
18
Verknüpfte Notizen
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