Gadoteridol supplier | CasNO.120066-54-8

Name
Gadoteridol
EINECS 1533716-785-6
CAS No. 120066-54-8
Article Data3
CAS DataBase
Density
Solubility
Melting Point >225oC
Formula C₁₇H₂₉GdN₄O₇
Boiling Point 668.2 °C at 760 mmHg
Molecular Weight 558.69
Flash Point 357.9 °C
Transport Information
Appearance
Safety 45-26-61-36/37-39
Risk Codes 22-25-36-50-43-41
Molecular Structure
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;
PSA 101.09000
LogP -2.14850

Synthetic route

: gadolinium(III) oxide

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

: 120066-54-8
gadoteridol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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)	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.

Product Name

Gadoteridol

Synthetic route

Gadoteridol Chemical Properties

Gadoteridol Uses

Gadoteridol Toxicity Data With Reference

Gadoteridol Specification

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