ATTO Thio12

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ATTO Thio12

ATTO Thio12

Catalog Number F10-0165
Category ATTO
Molecular Formula C29H32ClN3O7S
Molecular Weight 602.1
Catalog Number Size Price Quantity
F10-0165 -- $--

Chemical Information

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)
InChI Key CNHBWUJLSIHMSI-UHFFFAOYSA-N
NACRES NA.32

Computed Properties

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

Patents

Publication NumberTitlePriority 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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