Iopamidol-d3

CAT: 0024-sc-280840Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-280840Size:1 mg

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CAS Number

1217831-76-9

Chemical Information

Iopamidol-d3

CAS Number	1217831-76-9
PubChem CID	46781979
IUPAC Name	1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodo-5-[[(2S)-3,3,3-trideuterio-2-hydroxypropanoyl]amino]benzene-1,3-dicarboxamide
Molecular Formula	C17H22I3N3O8
Molecular Weight	780.1
XLogP	-2.4
Topological Polar Surface Area	188
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Heavy Atom Count	31
Formal Charge	0
Complexity	583

SMILES

[2H]C([2H])([2H])[C@@H](C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O

InChI

InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1/i1D3

InChIKey

XQZXYNRDCRIARQ-FYFSCIFKSA-N

Chemical Structure

2D Structure

CAS: 1217831-76-9

CID: 46781979

Formula: C17H22I3N3O8

MW: 780.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	780.1
XLogP3	-2.4
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	10
Exact Mass	779.8729
Monoisotopic Mass	779.8729
Topological Polar Surface Area	188 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	583
Isotope Atom Count	3
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
sc-211653	Iopamidol
sc-211653A	Iopamidol
sc-488933	Iopamidol-d8
sc-500577	Desmethyl iopamidol
sc-478880	Penta-O-acetyl Iopamidol
sc-478977	Penta-O-acetyl Iopamidol-d8
sc-229281	Sarcosine-d3 (methyl-d3)
sc-490896	Genfatinib-d3 (Imatinib-d3)
sc-472657	Thiamine-d3 Pyrophosphate Chloride (d3-Major)
sc-301973	Vitamin D3 (6,19,19-d3)

Alternative Products

Catalog	Name
TRC-I735602-5MG	Iopamidol-d3
452426-01	Iopamidol-d3 Tetraacetate
CS-T-29562	Iopamidol
AR-I01622-01	Iopamidol Impurity (Desdiiodo Iopamidol)

Iopamidol-d3

Chemical Information

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