Iohexol; Iodixanol EP Impurity A

CAT: 1299-RM-I150800-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I150800-01Size:10 mg

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CAS Number

66108-95-0

Synonyms

N1, N3-bis (2,3-dihydroxypropyl) -5- (N- (2,3-dihydroxypropyl) acetamido) -2,4,6-triiodoisophthalamide

Molecular Formula

C19H26I3N3O9

Molecular Weight

821.14

Target Alternative Name

Iohexol; Iodixanol

Product Name Synonym

N1, N3-bis (2,3-dihydroxypropyl) -5- (N- (2,3-dihydroxypropyl) acetamido) -2,4,6-triiodoisophthalamide

Chemical Information

Iohexol

Iohexol is a benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position. It has a role as a xenobiotic, a radioopaque medium and an environmental contaminant. It is an organoiodine compound and a benzenedicarboxamide.

CAS Number	66108-95-0
PubChem CID	3730
IUPAC Name	5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular Formula	C19H26I3N3O9
Molecular Weight	821.1
XLogP	-3
Topological Polar Surface Area	200
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Heavy Atom Count	34
Formal Charge	0
Complexity	653

SMILES

CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I

InChI

InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)

InChIKey

NTHXOOBQLCIOLC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66108-95-0

CID: 3730

Formula: C19H26I3N3O9

MW: 821.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	821.1
XLogP3	-3
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	820.8803
Monoisotopic Mass	820.8803
Topological Polar Surface Area	200 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	653
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
RM-I150801-01	Iohexol EP Impurity A; Iodixanol EP Impurity B
RM-I042405-01	Iodixanol EP Impurity E
RM-I042406-01	Iodixanol EP Impurity F
RM-I042407-01	Iodixanol EP Impurity G
RM-I042403-01	Iodixanol EP Impurity C
RM-I042408-01	Iodixanol EP Impurity H
RM-I042409-01	Iodixanol EP Impurity I
RM-I150815-01	Iohexol EP Impurity O
RM-I150814-01	Iohexol EP Impurity N
RM-I150813-01	Iohexol EP Impurity M

Alternative Products

Catalog	Name
AR-I04325-01	Iodixanol Impurity 8
AR-I01579-01	Iodixanol Impurity B
AR-I01584-01	Iodixanol Impurity 1
AR-I04326-01	Iodixanol Impurity 10
AR-I04324-01	Iodixanol Impurity 9
AR-I01578-01	Iodixanol Impurity G
AR-I01592-01	Iodixanol EP Impurity A
AR-I01586-01	Iodixanol Impurity 7
AR-I01580-01	Iodixanol Impurity 2
AR-I01577-01	Iodixanol Impurity F

Iohexol; Iodixanol EP Impurity A

Chemical Information

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