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Iopamidol EP Impurity J

CAT: 1299-RM-I151610-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I151610-01Size:10 mg
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CAS Number
77868-44-1
Synonyms
(S) -N1- (1,3-dihydroxypropan-2-yl) -N3- (2-hydroxyethyl) -5- (2-hydroxypropanamido) -2,4,6-triiodoisophthalamide
Molecular Formula
C16H20I3N3O7
Molecular Weight
747.07
Target Alternative Name
Iopamidol
Product Name Synonym
(S) -N1- (1,3-dihydroxypropan-2-yl) -N3- (2-hydroxyethyl) -5- (2-hydroxypropanamido) -2,4,6-triiodoisophthalamide

Chemical Information

Iopamidol EP Impurity J
CAS Number77868-44-1
PubChem CID156613769
IUPAC Name3-N-(1,3-dihydroxypropan-2-yl)-1-N-(2-hydroxyethyl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular FormulaC16H20I3N3O7
Molecular Weight747.06
XLogP-1.8
Topological Polar Surface Area168
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity582
SMILES
C[C@@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NCCO)I)O
InChI
InChI=1S/C16H20I3N3O7/c1-6(26)14(27)22-13-11(18)8(15(28)20-2-3-23)10(17)9(12(13)19)16(29)21-7(4-24)5-25/h6-7,23-26H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,27)/t6-/m0/s1
InChIKey
JFGLLCPCXNIKNW-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of Iopamidol EP Impurity J
CAS: 77868-44-1
CID: 156613769
Formula: C16H20I3N3O7
MW: 747.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight747.06
XLogP3-1.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass746.8435
Monoisotopic Mass746.8435
Topological Polar Surface Area168 Ų
Heavy Atom Count29
Formal Charge0
Complexity582
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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RM-I151601-01Iopamidol EP Impurity A
RM-I151604-01Iopamidol EP Impurity D
RM-I151611-01Iopamidol EP Impurity K
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Alternative Products

CatalogName
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
AR-I01624-01Iopamidol EP Impurity G
AR-I01618-01Iopamidol EP Impurity K

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