chempirical

Meglumine diatrizoate

C18H26I3N3O9CAS 131-49-7809.13 g/mol

Open in Covalent MOL file
OHNIHNOIOOHINHOHOHOHOHOH
AlcoholAryl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C18H26I3N3O9
Molar mass
809.13 g/mol
Exact mass
808.8803 Da
logP
1.06Crippen estimate
Polar surface area
215.7 Ų
H-bond donors / acceptors
9 / 9
Rotatable bonds
9
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
131-49-7
SMILES
CC(O)=Nc1c(I)c(N=C(C)O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey
MIKKOBKEXMRYFQ-WZTVWXICSA-N
InChI
InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

39 names · show all
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3,5-bis(acetylamino)-2,4,6-triiodobenzoate (1:1)
  • Glucitol, 1-deoxy-1-(methylamino)-, 3,5-diacetamido-2,4,6-triiodobenzoate (salt), D-
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 3,5-bis(acetylamino)-2,4,6-triiodobenzoate (salt)
  • Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, compd. with 1-deoxy-1-(methylamino)glucitol
  • Sorbitol, 1-deoxy-1-methylamino-, compd. with 3,5-diacetamido-2,4,6-triiodobenzoic acid
  • Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, compd. with 1-deoxy-1-methylaminosorbitol
  • Methylglucamine diatrizoate
  • Cardiografin
  • Gastrografin
  • Hypaque meglumine
  • Renografin
  • Diatrizoate meglumine
  • Ditrizoate methylglucamine
  • Methylglucamine diacetyldiaminetriiodobenzoate
  • Renograffin M 76
  • Meglumine amidotrizoate
  • Angiografin
  • Hypaque 60
  • Diatrizoate methylglucamine
  • Urovist
  • 3,5-Diacetamido-2,4,6-triiodobenzoic acid methylglucamine salt
  • Methylglucamine 3,5-diacetamido-2,4,6-triiodobenzoate
  • Urografic acid methylglucamine salt
  • Methylglucamine diatrixoate
  • Hypaque M 30
  • Methylglucammonium 2,4,6-triiodo-3,5-dipropionamidobenzoate
  • Renurix
  • Unipaque
  • Reno-M-dip
  • Hypaque 13.4
  • Amidotrizoic acid methylglucamine salt
  • Reno M 60
  • N-Methylglucamine diatrizoate
  • Angiovist 282
  • Angiographin
  • Angiografin 65
  • Angiografin 310
  • Angiografin 60

Work with Meglumine diatrizoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diatrizoate117-96-457 % similar Diatrizoic acid dihydrate50978-11-554 % similar Meglumine6284-40-847 % similar Metrizamide31112-62-647 % similar Iothalamic acid2276-90-647 % similar Metrizoate1949-45-744 % similar Acetrizoic acid85-36-943 % similar 5-Acetamido-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide31127-80-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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