Basic information
- CAS
114873-37-9- Standard SMILES
O=C(O)CN1CCNCCN(CC(=O)O)CCN(CC(=O)O)CC1- InChIKey
HHLZCENAOIROSL-UHFFFAOYSA-N- Molecular formula
- C14H26N4O6
- Average molar mass
- 346.38 g/mol
- Monoisotopic mass
- 346.18523456
Names & identifiers
- Preferred name
- 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane
- IUPAC
- 2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
- English name
- 1,4,7,10-Tetraazacyclododecaan-1,4,7-triyltriazijnzuur
- Molecular formula
- C14H26N4O6
- Molecular weight
- 346.38
Names & synonyms
114873-37-91,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid1,4,7-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecaneA6DV6KJV7ZDTXSID60276042DO3A1PrDO3A compoundRefChem:73025DTXCID602273972,2',2''-(1,4,7,10-Tetraazacyclododecane-1,4,7-triyl)triacetic acid2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic AcidGadobutrol Impurity 41
Show more names
2a1,4a1-dimethyldecahydro-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthyleneDO4AGadobinol impurity 12Gadolinium Butanol Impurity 5Gadolinium Butanol Impurity 8Gadobutrol EP Impurity C MonomerGadobutrol Impurity 11 Trifluoroacetic acidGadobutrol Impurity 103 Trifluoroacetic acid
1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid1,4,7,10-TETRAAZACYCLODODECAAN-1,4,7-TRIYLTRIAZIJNZUURMFCD305324531,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane TetrahydroclorideHHLZCENAOIROSL-UHFFFAOYSA-NGadobutrol Impurity CDO 3ASCHEMBL306395
Properties
Computed structural properties
- XLogP
- -8.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Melting point
- 260 ℃ · 260℃
- Boiling point
- 617.6 · 617.6±55.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- solubility
- soluble in Water
- form
- Solid
- pka
- 2.46 · 2.46±0.10(Predicted)
- color
- Beige Coloured
- InChI
- InChI=1S/C14H26N4O6/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24/h15H,1-11H2,(H,19,20)(H,21,22)(H,23,24)
- InChIKey
- HHLZCENAOIROSL-UHFFFAOYSA-N
- SMILES
- N1(CC(O)=O)CCNCCN(CC(O)=O)CCN(CC(O)=O)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDONA combines with lanthanides to from lanthanide-azacrown coordination complexes. Also it is reported that DONA can be used as potential contrast agents for magnetic resonance imaging (MRI). This compound can be used to target, treat and diagnose tumors.
Suppliers78 total
天津始加生物医药科技有限公司15022261580 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
59 records
Compound notes
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