ChemicalBook--->CAS DataBase List--->151878-23-8

151878-23-8

151878-23-8 Structure

151878-23-8 Structure
IdentificationBack Directory
[Name]

Calcobutrol
[CAS]

151878-23-8
[Synonyms]

alcobutrol
Calcobutrol
CALCOBUTROL CALCIUM
1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid,10-[[1R,25)-2,3-dihydroxy-1- (hydroxymethyl)propyl]-,calcium salt
calcium 2,2'-(7-(carboxymethyl)-10-((2R,3R)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate
calcium,2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid, 10-[(1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl]-, calcium salt (1:1), rel-
[Molecular Formula]

C18H36CaN4O9
[MDL Number]

MFCD34550008
[MOL File]

151878-23-8.mol
[Molecular Weight]

492.58
Chemical PropertiesBack Directory
[Melting point ]

>300oC
[storage temp. ]

Hygroscopic, Refrigerator, under inert atmosphere
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChIKey]

RPPPSLZMRXBPAX-VWTMEEFNNA-N
[SMILES]

[C@@H](N1CCN(CCN(CC(=O)O)CCN(CC(=O)O)CC1)CC(=O)O)(CO)[C@H](O)CO.[Ca] |&1:0,27,r|
Hazard InformationBack Directory
[Uses]

Calcobutrol, is a new macrocyclic polyhydroxylated gadolinium chelate derivative which can be used as a contrast agent for Magnetic Resonance Imaging (MRI).
[Uses]

Calcobutrol, is a new macrocyclic polyhydroxylated gadolinium chelate derivative which can be used as a contrast agentfor Magnetic Resonance Imaging (MRI).
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