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Gadoteridol
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Name

Gadoteridol

 EINECS 1533716-785-6
CAS No. 120066-54-8 Density N/A
PSA 101.09000 LogP -2.14850
Solubility N/A Melting Point >225oC
Formula C17H29GdN4O7 Boiling Point 668.2 °C at 760 mmHg
Molecular Weight 558.69 Flash Point 357.9 °C
Transport Information N/A Appearance N/A
Safety 45-26-61-36/37-39 Risk Codes 22-25-36-50-43-41
Molecular Structure Molecular Structure of 120066-54-8 (Gadoteridol) Hazard Symbols Xn,T,N,Xi
Synonyms

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;(10-(2-Hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato)gadolinium;Gadolinium-HP-DO 3A;ProHance;SQ 32692;

Article Data 3

Gadoteridol Synthetic route

gadolinium(III) oxide

1,4,7-tris(carboxymethyl)-10-(2'-hydroxypropyl)-1,4,7,10-tetraazacyclododecane

120066-54-8

gadoteridol

Conditions
ConditionsYield
In water at 85℃;99%

gadolinium(III) acetate hydrate

1,4,7-tris(carboxymethyl)-10-(2'-hydroxypropyl)-1,4,7,10-tetraazacyclododecane

120066-54-8

gadoteridol

Conditions
ConditionsYield
With hydrogenchloride In water at 20℃; for 12h; pH=4 - 6.5; Inert atmosphere;25%
10138-52-0

gadolinium(III) chloride

1,4,7-tris(carboxymethyl)-10-(2'-hydroxypropyl)-1,4,7,10-tetraazacyclododecane

120066-54-8

gadoteridol

Conditions
ConditionsYield
In water Kinetics; in lightly buffered medium (sodium acetate/acetic acid), 25.0°C +/- 0.1°C, ionic strength 1.0 (NaCl); not isolated; monitoring by UV;

Gadoteridol Chemical Properties

Molecular Structure of Gadoteridol (CAS NO.120066-54-8):

IUPAC Name: Gadolinium(3+); 2-[4-(2-hydroxypropyl)-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate 
Molecular Formula: C17H29GdN4O7
Molecular Weight: 558.68 
Flash Point: 357.9 °C
Enthalpy of Vaporization: 112.4 kJ/mol
Boiling Point: 668.2 °C at 760 mmHg
Vapour Pressure: 1.04E-20 mmHg at 25 °C
Classification Code: Contrast media; Diagnostic aid [paramagnetic]; Drug / Therapeutic Agent
SMILES: [Gd+3].[O-]C(=O)CN1CCN(CCN(CCN(CC(O)C)CC1)CC([O-])=O)CC([O-])=O
InChI: InChI=1/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
InChIKey: DPNNNPAKRZOSMO-DFZHHIFOAX

Gadoteridol Uses

 Gadoteridol (CAS NO.120066-54-8) is used in the imaging of the central nervous system. A research shows that high-dose gadoteridol study may facilitate the care of patients with suspected central nervous system metastasis.

Gadoteridol Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 2800mg/kg (2800mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 36, Pg. 1409, 1994.
mouse LD50 intravenous 6146mg/kg (6146mg/kg)   Drugs of the Future. Vol. 17, Pg. 187, 1992.
rat LD intravenous > 5587mg/kg (5587mg/kg)   Drugs of the Future. Vol. 17, Pg. 187, 1992.

Gadoteridol Specification

 Gadoteridol (CAS NO.120066-54-8), its Synonyms are (+-)-(10-(2-Hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-))gadolinium ; (10-(2-Hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato)gadolinium ; GD-HP-DO 3A ; Gadolinium, (10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-N(sup 1),N(sup 4),N(sup 7),N(sup 10),O(sup 1),O(sup 4),O(sup 7),O(sup 10))- ; Gadolinium-HP-DO3A ; Gadolinium-HP-Do 3A ; Gadoteridolum . It is a magnetic resonance contrast agent.

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