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Iopromide EP Impurity G

CAT: 1299-RM-I151807-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I151807-01Size:10 mg
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CAS Number
154361-53-2
Synonyms
N1- (2-chloro-3-hydroxypropyl) -N3- (2,3-dihydroxypropyl) -2,4,6-triiodo-5- (2-methoxyacetamido) -N3-methylisophthalamide
Molecular Formula
C18H23ClI3N3O7
Molecular Weight
809.56
Target Alternative Name
Iopromide
Product Name Synonym
N1- (2-chloro-3-hydroxypropyl) -N3- (2,3-dihydroxypropyl) -2,4,6-triiodo-5- (2-methoxyacetamido) -N3-methylisophthalamide

Chemical Information

Iopromide EP Impurity G
CAS Number154361-53-2
PubChem CID175674615
IUPAC Name1-N-(2-chloro-3-hydroxypropyl)-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide
Molecular FormulaC18H23ClI3N3O7
Molecular Weight809.6
XLogP-0.8
Topological Polar Surface Area148
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity651
SMILES
CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)Cl)I)NC(=O)COC)I
InChI
InChI=1S/C18H23ClI3N3O7/c1-25(4-9(28)6-27)18(31)12-13(20)11(17(30)23-3-8(19)5-26)14(21)16(15(12)22)24-10(29)7-32-2/h8-9,26-28H,3-7H2,1-2H3,(H,23,30)(H,24,29)
InChIKey
BPMVDBYYJLNLPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iopromide EP Impurity G
CAS: 154361-53-2
CID: 175674615
Formula: C18H23ClI3N3O7
MW: 809.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight809.6
XLogP3-0.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass808.8359
Monoisotopic Mass808.8359
Topological Polar Surface Area148 Ų
Heavy Atom Count32
Formal Charge0
Complexity651
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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