CAS No.120066-54-8,Gadoteridol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	120066-54-8
Name:	Gadoteridol
Article Data:	3

Formula:	C₁₇H₂₉GdN₄O₇
Molecular Weight:	558.69
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;
EINECS:	1533716-785-6
Melting Point:	>225oC
Boiling Point:	668.2 °C at 760 mmHg
Flash Point:	357.9 °C
Hazard Symbols:	Xn,T,N,Xi
Risk Codes:	22-25-36-50-43-41
Safety:	45-26-61-36/37-39
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;

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Chemistry

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

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.

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.

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.