746
  Mrv0541 02231214582D          

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M  END
> <DATABASE_ID>
DB00746

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN

> <INCHI_IDENTIFIER>
InChI=1S/C25H48N6O8/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/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)

> <INCHI_KEY>
InChIKey=UBQYURCVBFRUQT-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
62.40535254154213

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_EXACT_MASS>
560.353362542

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C25H48N6O8

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(5-aminopentyl)-N-hydroxy-N'-[5-(N-hydroxy-3-{[5-(N-hydroxyacetamido)pentyl]carbamoyl}propanamido)pentyl]butanediamide

> <ALOGPS_LOGP>
0.93

> <JCHEM_LOGP>
-3.3651618260693423

> <ALOGPS_LOGS>
-3.75

> <JCHEM_MASS>
560.684

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
8.390588453904945

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.915494126454605

> <JCHEM_PKA_STRONGEST_BASIC>
10.225199409093682

> <JCHEM_POLAR_SURFACE_AREA>
205.84000000000003

> <JCHEM_REFRACTIVITY>
144.9508

> <JCHEM_ROTATABLE_BOND_COUNT>
23

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.90e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
deferoxamine

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00746

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Deferoxamine

> <SYNONYMS>
Deferoxamin; Deferoxamina; Déferoxamine; Deferoxaminum; Desferrioxamine; DFOA; DFOM

> <BRANDS>
Desferal; Desféral; Desferin

> <SALTS>
Deferoxamine Hydrochloride; Deferoxamine mesylate

$$$$