Account rel-Calcium 2,2'-(7-(carboxymethyl)-10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate
- Catalog No. :
- ACACYP617
- CAS No. :
- 151878-23-8
- Molecular Formula :
- C18H32CaN4O9
- Molecular Weight :
- 488.55
IUPAC Name:calcium 2,2'-(7-(carboxymethyl)-10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate
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Product Information
| Product Name | rel-Calcium 2,2'-(7-(carboxymethyl)-10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate |
|---|---|
| IUPAC Name | calcium 2,2'-(7-(carboxymethyl)-10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate |
| MDL No. | MFCD34550008 |
| Molecular Formula | C18H32CaN4O9 |
| Molecular Weight | 488.55 |
| SMILES | OC[C@@H](O)[C@H](N1CCN(CC(O)=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)CO.[Ca+2] |
| InChI Key | GCLKDXFGQNCFQW-CTHHTMFSSA-L |
| Synonym | Calcobutrol;1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid, 10-[(1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl]-, calcium salt (1:1), rel-;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;alcobutrol;1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid,10-[[1R,25)-2,3-dihydroxy-1- (hydroxymethyl)propyl]-,calcium salt;CALCOBUTROL CALCIUM;Calcobutrol Calcium Salt |
| CAS No. | 151878-23-8 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H315-H319
- Precautionary Statement(s)
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
Synthetic Route by SureRoute
2. ACACYP617 Molecular Building Block Synthetic Route
2,2',2''-(10-(1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
rel-2,2',2''-(10-((2R,3S)-1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
2,2'-(4,10-Bis(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid tetrahydrochloride