chempirical

Gadoteridol

C17H29GdN4O7CAS 120066-54-8558.69 g/mol

Open in Covalent MOL file
OHNNOO−NOO−NOO−Gd3+
AlcoholCarboxylic acidTertiary amine

Properties

Molecular formula
C17H29GdN4O7
Molar mass
558.69 g/mol
Exact mass
559.1277 Da
logP
-6.16Crippen estimate
Polar surface area
153.6 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
8

Identifiers

CAS number
120066-54-8
SMILES
CC(O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3]
InChIKey
DPNNNPAKRZOSMO-UHFFFAOYSA-K
InChI
InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3

Weigh it out

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

Names and synonyms

10 names
  • Gadolinium, [10-[2-(hydroxy-κO)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]-
  • Gadolinium, [10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-N1,N4,N7,N10,O1,O4,O7,O10]-
  • 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-(2-hydroxypropyl)-, gadolinium complex
  • 1,4,7,10-Tetraazacyclododecane, gadolinium deriv.
  • [10-[2-(Hydroxy-κO)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]gadolinium
  • SQ 32692
  • ProHance
  • GD-HP-DO 3A
  • Gadolinium-HP-DO 3A
  • (10-(2-Hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato)gadolinium

Work with Gadoteridol

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

Gadoteric acid72573-82-157 % similar Gd-dtpa80529-93-755 % similar 1,1′,1′′,1′′′-[[(2-Hydroxypropyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis[2-propanol]17121-34-552 % similar Gadobutrol138071-82-651 % similar Tetrakis(2-hydroxypropyl)ethylenediamine102-60-348 % similar Pentasodium pentetate140-01-247 % similar Gadodiamide131410-48-547 % similar Magnesium disodium edta14402-88-145 % similar

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

Elsewhere

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