Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| September 30th, 2005 |
19 |
No
|
Other Names:
1151-11-7; D04604; Ipodate calcium; Oragrafin calcium (TN)
1221-56-3; D01015; Ipodate sodium (USP); Oragrafin sodium (TN); Sodium iopodate (JAN)
3-((Dimethylaminomethylene)amino)-2,4,6-triiodohydrocinnamic acid sodium salt; Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-, sodium salt; Benzenepropanoic acid, 3-((dimethylaminomethylene)amino)-2,4,6-triiodo-, sodium salt; Bi
3-(3-{[(E)-(dimethylamino)methylidene]amino}-2,4,6-triiodophenyl)propanoic acid
5587-89-3; C18093; Iopodic acid
Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-, calcium salt; Calcium 3-(((dimethylamino)methylene)amino)-2,4,6-triiodohydrocinnamate; Calcium bis(3-(((dimethylamino)methylene)amino)-3-(2,4,6-triiodophenyl)propionate); EINECS 21
FDA); Ipodate Sodium (FDA
INN
Ipodate Calcium (USP
Ipodate Sodium (FDA
Ipodate Sodium salt
JAN)
JAN); Ipodate Calcium (FDA
MFCD00867958
sodium 3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate
USAN
USAN); Sodium Iopodate (BAN
USP
USP)
USP); Sodium Iopodate (BAN
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
3.92 |
-0.69 |
-47.12 |
0 |
4 |
-1 |
55 |
596.952 |
5 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Molecular_Solubility |
7.105 |
Bitter DB |
No pre-computed analogs available. Try a structural similarity search.
