DEFEROXAMINE MESYLATE

Search structure


Trade Names:	DEFEROXAMINE MESYLATE DESFERAL
Synonyms:	BA-33112 Deferoxamine mesilate Deferoxamine mesylate Deferoxamine methanesulfonate Deferoxamini mesilas Desferal Desferal Mesylate Desferrioxamine mesilate Desferrioxamine mesylate Desferrioxamine Mesylate NSC-756718
Status:	Approved (1968)
Entry Type:	Small molecule
Molecule Category:	Salt
UNII:	V9TKO7EO6K
Parent Compound:	DEFEROXAMINE

Structure


InChI Key	IDDIJAWJANBQLJ-UHFFFAOYSA-N
Smile	CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O
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)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H52N6O11S
Molecular Weight	656.8
AlogP	0.92
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	23.0
Polar Surface Area	205.84
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	39.0

Pharmacology

Action	Mechanism of Action	Reference
CHELATING AGENT	Iron chelating agent	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	116

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Cerebral Hemorrhage	2	D002543	ClinicalTrials
Diabetes Mellitus, Type 1	2	D003922	ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution

System Organ Classification (SOC)

	Relative Frequency (%)
General disorders and administration site conditions	14.09
Investigations	8.95
Gastrointestinal disorders	8.4
Infections and infestations	7.8
Injury, poisoning and procedural complications	7.7
Respiratory, thoracic and mediastinal disorders	7.64
Nervous system disorders	4.54
Metabolism and nutrition disorders	4.51
Eye disorders	4.02
Skin and subcutaneous tissue disorders	3.78
Vascular disorders	3.73
Blood and lymphatic system disorders	3.6
Cardiac disorders	3.42
Musculoskeletal and connective tissue disorders	3.08
Renal and urinary disorders	2.58
Hepatobiliary disorders	2.4

Cross References

Resources	Reference
ChEBI	31460
ChEMBL	CHEMBL1234
EPA CompTox	DTXSID6037649
FDA SRS	V9TKO7EO6K
KEGG	C06940
PubChem	62881
SureChEMBL	SCHEMBL119982
ZINC	ZINC03830635

CONTENTS