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Iopamidol EP Impurity D

CAT: 1596-AR-I01614-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I01614-01Size:10 Units
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CAS Number
87932-11-4
Synonyms
(S) -3- ((1,3-dihydroxypropan-2-yl) carbamoyl) -5- (2-hydroxypropanamido) -2,4,6-triiodobenzoicacid; (S) ?-3-?[[[2-?hydroxy-?1-? (hydroxymethyl) ?ethyl]?amino]?carbonyl]?-?5-?[ (2-?hydroxy-?1-?oxopropyl) ?amino]?-?2, ?4, ?6-?triiodobenzoic Acid (Iopamidol EP Impurity D)
Molecular Formula
C14H15I3N2O7
Molecular Weight
703.99
API Name
Iopamidol

Chemical Information

Iopamidol EP impurity D
CAS Number87932-11-4
PubChem CID135390900
IUPAC Name3-(1,3-dihydroxypropan-2-ylcarbamoyl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzoic acid
Molecular FormulaC14H15I3N2O7
Molecular Weight703.99
XLogP-0.9
Topological Polar Surface Area156
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity535
SMILES
C[C@@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC(CO)CO)I)O
InChI
InChI=1S/C14H15I3N2O7/c1-4(22)12(23)19-11-9(16)6(13(24)18-5(2-20)3-21)8(15)7(10(11)17)14(25)26/h4-5,20-22H,2-3H2,1H3,(H,18,24)(H,19,23)(H,25,26)/t4-/m0/s1
InChIKey
BWAZWHDKQIBKFB-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of Iopamidol EP impurity D
CAS: 87932-11-4
CID: 135390900
Formula: C14H15I3N2O7
MW: 703.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight703.99
XLogP3-0.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass703.8013
Monoisotopic Mass703.8013
Topological Polar Surface Area156 Ų
Heavy Atom Count26
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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