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ATTO Thio12
| Catalog Number | F10-0165 |
| Category | ATTO Dyes |
| Molecular Formula | C29H32ClN3O7S |
| Molecular Weight | 602.1 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Computed Properties
Patents
| IUPAC Name | [9-[2-[3-carboxypropyl(methyl)carbamoyl]phenyl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethylazanium;perchlorate |
| Canonical SMILES | CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)C4=CC=CC=C4C(=O)N(C)CCCC(=O)O.[O-]Cl(=O)(=O)=O |
| InChI | InChI=1S/C29H31N3O3S.ClHO4/c1-30(2)19-12-14-23-25(17-19)36-26-18-20(31(3)4)13-15-24(26)28(23)21-9-6-7-10-22(21)29(35)32(5)16-8-11-27(33)34;2-1(3,4)5/h6-7,9-10,12-15,17-18H,8,11,16H2,1-5H3;(H,2,3,4,5) |
| InChIKey | CNHBWUJLSIHMSI-UHFFFAOYSA-N |
| NACRES | NA.32 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 601.1649492 g/mol |
| Monoisotopic Mass | 601.1649492 g/mol |
| Topological Polar Surface Area | 163Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1040 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-2954934-A1 | Conjugate comprising a neurotensin receptor ligand and use thereof | 2014-06-11 |
| CA-2949936-A1 | Conjugate comprising a neurotensin receptor ligand and use thereof | 2014-06-10 |
| EP-2954933-A1 | Conjugate comprising a neurotensin receptor ligand | 2014-06-10 |
| US-2017119913-A1 | Conjugate comprising a neurotensin receptor ligand and use thereof | 2014-06-10 |
| JP-2020097586-A | Conjugates containing neurotensin receptor ligands and their use | 2014-06-10 |
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