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Iopromide EP Impurity E

CAT: 1299-RM-I151805-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I151805-02Size:25 mg
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CAS Number
154397-78-1
Synonyms
3- (3- ((2,3-dihydroxypropyl) carbamoyl) -2,4,6-triiodo-5- (2-methoxyacetamido) -N-methylbenzamido) -2-hydroxypropyl 3- ((2,3-dihydroxypropyl) carbamoyl) -2,4,6-triiodo-5- (2-methoxyacetamido) benzoate
Molecular Formula
C32H37I6N5O14
Molecular Weight
1477.09
Target Alternative Name
Iopromide
Product Name Synonym
3- (3- ((2,3-dihydroxypropyl) carbamoyl) -2,4,6-triiodo-5- (2-methoxyacetamido) -N-methylbenzamido) -2-hydroxypropyl 3- ((2,3-dihydroxypropyl) carbamoyl) -2,4,6-triiodo-5- (2-methoxyacetamido) benzoate

Chemical Information

Iopromide EP Impurity E
CAS Number154397-78-1
PubChem CID165429108
IUPAC Name[3-[[3-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoyl]-methylamino]-2-hydroxypropyl] 3-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoate
Molecular FormulaC32H37I6N5O14
Molecular Weight1477.1
XLogP-0.8
Topological Polar Surface Area283
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count21
Heavy Atom Count57
Formal Charge0
Complexity1380
SMILES
CN(CC(COC(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I)O)C(=O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)NC(=O)COC)I
InChI
InChI=1S/C32H37I6N5O14/c1-43(31(53)19-21(33)17(29(51)39-4-12(46)7-44)23(35)27(25(19)37)41-15(49)10-55-2)6-14(48)9-57-32(54)20-22(34)18(30(52)40-5-13(47)8-45)24(36)28(26(20)38)42-16(50)11-56-3/h12-14,44-48H,4-11H2,1-3H3,(H,39,51)(H,40,52)(H,41,49)(H,42,50)
InChIKey
MIQGHCVKKNIDEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iopromide EP Impurity E
CAS: 154397-78-1
CID: 165429108
Formula: C32H37I6N5O14
MW: 1477.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1477.1
XLogP3-0.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count21
Exact Mass1476.6605
Monoisotopic Mass1476.6605
Topological Polar Surface Area283 Ų
Heavy Atom Count57
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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