Amidotrizoic Acid-d6

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CAS Number

1189668-69-6

Synonyms

3,5-diacetamido-2,4,6-triiodobenzoic acid-D6;3,5-Bis (acetyl-d6-amino) -2,4,6-triiodobenzoic Acid;2,4,6-Triiodo-3,5-diacetamido-d6-benzoic Acid; Diatrizoic Acid-d6; Diatrizoate-d6; NSC 262168-d6; Odiston-d6; Urografin Acid-d6; Urogranoic Acid-d6; Urotrast-d6

Molecular Formula

C11H3I3N2O4D6

Molecular Weight

619.95

API Name

Amidotrizoic Acid

Chemical Information

Amidotrizoic Acid-d6

CAS Number	1189668-69-6
PubChem CID	46780135
IUPAC Name	2,4,6-triiodo-3,5-bis[(2,2,2-trideuterioacetyl)amino]benzoic acid
Molecular Formula	C11H9I3N2O4
Molecular Weight	619.95
XLogP	1.8
Topological Polar Surface Area	95.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	390

SMILES

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

InChI

InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)/i1D3,2D3

InChIKey

YVPYQUNUQOZFHG-WFGJKAKNSA-N

Chemical Structure

2D Structure

CAS: 1189668-69-6

CID: 46780135

Formula: C11H9I3N2O4

MW: 619.95

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	619.95
XLogP3	1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	619.8073
Monoisotopic Mass	619.8073
Topological Polar Surface Area	95.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	390
Isotope Atom Count	6
Defined Atom Stereocenter Count	0
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
AR-A01891-01	Amidotrizoic Acid
AR-A01894-01	Amidotrizoic Acid EP Impurity D
AR-A01893-01	Amidotrizoic Acid EP Impurity B
AR-C07086-01	Taurochenodeoxycholic Acid-d6
AR-A01074-01	Abscisic Acid-d6
AR-V01321-01	Veratric Acid-d6
AR-L01737-01	Linolenic Acid-d6
AR-F02232-01	Fusidic acid-d6
AR-P31972-01	Pivalic-d6 Acid
AR-O08878-01	Olmesartan-d6 Acid

Alternative Products

Catalog	Name
MBS6058659-01	Amidotrizoic Acid-d6
RM-A130400-01	Amidotrizoic Acid
TRC-A576805-1G	Amidotrizoic Acid Dihydrate
001909-01	Diatrizoic acid (Amidotrizoic Acid)
432051-01	4-Deiodo-amidotrizoic Acid
417392-01	2-Deiodo Amidotrizoic Acid
458729	N-Desacetyl Amido Amidotrizoic Acid
RM-A130404-01	Amidotrizoic Acid EP Impurity D
RM-A130403-01	Amidotrizoic Acid EP Impurity C
RM-A130405-01	Amidotrizoic Acid EP Impurity E

Amidotrizoic Acid-d6

Chemical Information

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