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Metrizamide

CAT: 0013-GTR19193602-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193602-01Size:1 mg
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Description
Metrizamide is a non-ionic, water-soluble contrast medium utilized in research for radiographic imaging. It is commonly applied in vitro for cell density gradient centrifugation and in vivo for myelographic studies in animal models to visualize anatomical structures.
CAS Number
31112-62-6
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
CN (C (C) =O) c1c (I) c (NC (C) =O) c (I) c (C (=O) N[C@H]2C (O) O[C@H] (CO) [C@@H] (O) [C@@H]2O) c1I
Molecular Formula
C18H22I3N3O8
Molecular Weight
789.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Metrizamide

Metrizamide is an amino sugar.

CAS Number31112-62-6
PubChem CID443944
IUPAC Name3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
Molecular FormulaC18H22I3N3O8
Molecular Weight789.1
XLogP-0.4
Topological Polar Surface Area169
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity719
SMILES
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)I)N(C)C(=O)C)I
InChI
InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1
InChIKey
BAQCROVBDNBEEB-UBYUBLNFSA-N
Chemical Structure
2D Structure
2D structure of Metrizamide
CAS: 31112-62-6
CID: 443944
Formula: C18H22I3N3O8
MW: 789.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight789.1
XLogP3-0.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass788.8541
Monoisotopic Mass788.8541
Topological Polar Surface Area169 Ų
Heavy Atom Count32
Formal Charge0
Complexity719
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-M338850-10MGMetrizamide
M3592Metrizamide (Amipaque, 2-[[3- (Acetylamino) -5- (acetylmethylamino) -2,4,6-triiodobenzoyl]amino]-2-deoxy-D-glucose)
MBS6026067-01Metrizamide (Amipaque, 2-[[3-(Acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl]amino]-2-deoxy-D-glucose)

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