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

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

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