Basic information
- CAS
119167-08-7- Standard SMILES
CC(O)CN1CCN(CC(C)O)CCN(CC(C)O)CCN(CC(C)O)CC1- InChIKey
JHOCPWZBWNMPDD-UHFFFAOYSA-N- Molecular formula
- C20H44N4O4
- Average molar mass
- 404.6 g/mol
- Monoisotopic mass
- 404.3362559
Names & identifiers
- Preferred name
- Ecane
- IUPAC
- 1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
- English name
- N,N',N'',N'''-tetrakis(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane
- Molecular formula
- C20H44N4O4
- Molecular weight
- 404.59
Names & synonyms
ECANE119167-08-7Gadoteridol Impurity 51-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-olN,N',N'',N'''-Tetrakis(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecaneThp-12-ane N4SCHEMBL8860654DTXSID00922879N,N',N'',N'''-Tetrakis(2-hydroxypropyl)1,4,7,10-tetraazacyclododecane148407-91-41,1',1'',1'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetra(propan-2-ol)1,1',1'',1'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis(propan-2-ol)
Show more names
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraethanol, a1,a4,a7,a10-tetramethyl-,(a1R,a4R,a7R,a10R)-rel-1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraethanol, α1,α4,α7,α10-tetramethyl-, (α1R,α4R,α7R,α10R)-rel-
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraethanol, alpha,alpha',alpha'',alpha'''-tetramethyl-, (alphaR*,alpha'R*,alpha''R*,alpha'''R*)-
Database identifiers
- CAS
119167-08-7- PubChem CID
- 147341
- DTXSID
DTXSID00922879- Nikkaji
- J1.007.453C
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 316
Chemistry & industry
Applications
DescriptionECANE has the ability to chelate and mobilize cadmium in vivo, making it a good antagonist for cadmium intoxication.
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…