Iopromide EP Impurity H

CAT: 1299-RM-I151808-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I151808-01Size:10 mg

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CAS Number

185459-57-8

Synonyms

3- ((2,3-dihydroxypropyl) carbamoyl) -2,4,6-triiodo-5- (2-methoxyacetamido) benzoic acid

Molecular Formula

C14H15I3N2O7

Molecular Weight

703.99

Target Alternative Name

Iopromide

Product Name Synonym

3- ((2,3-dihydroxypropyl) carbamoyl) -2,4,6-triiodo-5- (2-methoxyacetamido) benzoic acid

Chemical Information

Iopromide EP Impurity H

CAS Number	185459-57-8
PubChem CID	54128879
IUPAC Name	3-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid
Molecular Formula	C14H15I3N2O7
Molecular Weight	703.99
XLogP	-0.7
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	26
Formal Charge	0
Complexity	525

SMILES

COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCC(CO)O)I

InChI

InChI=1S/C14H15I3N2O7/c1-26-4-6(22)19-12-10(16)7(13(23)18-2-5(21)3-20)9(15)8(11(12)17)14(24)25/h5,20-21H,2-4H2,1H3,(H,18,23)(H,19,22)(H,24,25)

InChIKey

NSWXZELGEDUBTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 185459-57-8

CID: 54128879

Formula: C14H15I3N2O7

MW: 703.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	703.99
XLogP3	-0.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	703.8013
Monoisotopic Mass	703.8013
Topological Polar Surface Area	145 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes