Account (S)-2,2',2''-(4-(4-Aminobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid
- Catalog No. :
- ACOMGH438
- CAS No. :
- 2125661-64-3
- Molecular Formula :
- C24H31N5O6
- Molecular Weight :
- 485.54
IUPAC Name:(S)-2,2',2''-(4-(4-aminobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid
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Product Information
| Product Name | (S)-2,2',2''-(4-(4-Aminobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid |
|---|---|
| IUPAC Name | (S)-2,2',2''-(4-(4-aminobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid |
| Molecular Formula | C24H31N5O6 |
| Molecular Weight | 485.54 |
| SMILES | OC(CN(CC1=CC=CC(CN(CCN(C2)CC(O)=O)CC(O)=O)=N1)[C@H]2CC3=CC=C(C=C3)N)=O |
| InChI Key | IIAXZQMTBYDWOZ-NRFANRHFSA-N |
| Synonym | p-NH-Bn-PCTA;3,6,9,15-Tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-3,6,9-triacetic acid, 4-[(4-aminophenyl)methyl]-, (4S)- |
| CAS No. | 2125661-64-3 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACOMGH438 Molecular Building Block Synthetic Route
(S)-2,2',2''-(4-(4-Isothiocyanatobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid
(S)-2,2',2''-(2-(4-aminobenzyl)-1,4,7-triazonane-1,4,7-triyl)triacetic acid tetrahydrochloride
(S)-2,2',2''-(2-(4-Aminobenzyl)-1,4,7-triazonane-1,4,7-triyl)triacetic acid