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Iopamidol EP Impurity B

CAT: 1299-RM-I151602-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I151602-01Size:10 mg
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CAS Number
77868-41-8
Synonyms
N1, N3-bis (1,3-dihydroxypropan-2-yl) -5- (2-hydroxyacetamido) -2,4,6-triiodoisophthalamide
Molecular Formula
C16H20I3N3O8
Molecular Weight
763.07
Target Alternative Name
Iopamidol
Product Name Synonym
N1, N3-bis (1,3-dihydroxypropan-2-yl) -5- (2-hydroxyacetamido) -2,4,6-triiodoisophthalamide

Chemical Information

1,3-Benzenedicarboxamide, 5-((2-hydroxyacetyl)amino)-N1,N3-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-
CAS Number77868-41-8
PubChem CID13589964
IUPAC Name1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular FormulaC16H20I3N3O8
Molecular Weight763.06
XLogP-2.8
Topological Polar Surface Area188
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity554
SMILES
C(C(CO)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)NC(CO)CO)I)O
InChI
InChI=1S/C16H20I3N3O8/c17-11-9(15(29)20-6(1-23)2-24)12(18)14(22-8(28)5-27)13(19)10(11)16(30)21-7(3-25)4-26/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,28)
InChIKey
BPSXCZTZZDIVJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Benzenedicarboxamide, 5-((2-hydroxyacetyl)amino)-N1,N3-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-
CAS: 77868-41-8
CID: 13589964
Formula: C16H20I3N3O8
MW: 763.06
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight763.06
XLogP3-2.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass762.8385
Monoisotopic Mass762.8385
Topological Polar Surface Area188 Ų
Heavy Atom Count30
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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AR-I01622-01Iopamidol Impurity (Desdiiodo Iopamidol)
AR-I01619-01Iopamidol EP Impurity B (Desmethyl Iopamidol)
AR-I01625-01Iopamidol EP Impurity A
AR-I03050-01Iopamidol Impurity 2
AR-I01620-01Iopamidol EP Impurity C
AR-I01626-01Iopamidol EP Impurity H
AR-I01617-01Iopamidol EP Impurity J
AR-I01615-01Iopamidol EP Impurity E
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