Mrv1909 11271915282D          

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M  END
> <DATABASE_ID>
DB13539

> <DATABASE_NAME>
drugbank

> <SMILES>
OC(=O)C1=C(I)C(NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C(I)C=C1I

> <INCHI_IDENTIFIER>
InChI=1S/C26H26I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)

> <INCHI_KEY>
WWVAPFRKZMUPHZ-UHFFFAOYSA-N

> <FORMULA>
C26H26I6N2O10

> <MOLECULAR_WEIGHT>
1287.925

> <EXACT_MASS>
1287.58557

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
88.78213853548773

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{1-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]-3,6,9,12-tetraoxapentadecan-15-amido}-2,4,6-triiodobenzoic acid

> <ALOGPS_LOGP>
4.13

> <JCHEM_LOGP>
7.171051480666666

> <ALOGPS_LOGS>
-5.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.6275664609835863

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.025506765004233

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8411233485212595

> <JCHEM_POLAR_SURFACE_AREA>
169.72

> <JCHEM_REFRACTIVITY>
218.95300000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.84e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
iodoxamic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13539

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Iodoxamic acid

> <SYNONYMS>
Acidum iodoxamicum; Iodoxamic acid

> <INTERNATIONAL_BRANDS>
Cholevue; Endobil; Endomirabil

> <SALTS>
Iodoxamate meglumine

$$$$