Isopaque cerebral

3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol

CAS: 18555-27-6

Molecular Formula	`C19H28I3N3O9`
Molecular Weight	823.2 g/mol
Topological Polar Surface Area	200.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	822.896
Heavy Atoms	34
Complexity	582.0

Chemical Identifiers

CAS Number	18555-27-6
SMILES	`CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I.CNCC(C(C(C(CO)O)O)O)O`
InChIKey	`TXKOGNLDVKUFSI-UHFFFAOYSA-N`

📖 Product Overview

Isopaque cerebral (CAS: 18555-27-6) is a chemical compound with molecular formula C19H28I3N3O9 and molecular weight 823.2 g/mol. Its IUPAC systematic name is 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol. Topological Polar Surface Area 200.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 10 Rotatable Bonds 9 Exact Mass 822.896 Heavy Atoms 34 Complexity 582.0 InChI Key: TXKOGNLDVKUFSI-UHFFFAOYSA-N. SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I.CNCC(C(C(C(CO)O)O)O)O.

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