Account (S)-2,2',2''-(4-(4-Isothiocyanatobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid
- Catalog No. :
- ACZDPN590
- CAS No. :
- 949147-44-8
- Molecular Formula :
- C25H29N5O6S
- Molecular Weight :
- 527.60
IUPAC Name:(S)-2,2',2''-(4-(4-isothiocyanatobenzyl)-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-Isothiocyanatobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid |
|---|---|
| IUPAC Name | (S)-2,2',2''-(4-(4-isothiocyanatobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid |
| Molecular Formula | C25H29N5O6S |
| Molecular Weight | 527.60 |
| SMILES | OC(CN(CC1=CC=CC(CN(CCN(C2)CC(O)=O)CC(O)=O)=N1)[C@H]2CC3=CC=C(C=C3)N=C=S)=O |
| InChI Key | FSOBASOXWBKMSC-QFIPXVFZSA-N |
| Synonym | p-SCN-Bn-PCTA;3,6,9,15-Tetraazabicyclo[9.3.1]pentadeca-1(15),11,13-triene-3,6,9-triacetic acid, 4-[(4-isothiocyanatophenyl)methyl]-, (4S)- |
| CAS No. | 949147-44-8 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H301-H315-H319-H334-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P284-P301+P310+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P342+P311-P362+P364-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACZDPN590 Molecular Building Block Synthetic Route
(S)-2,2',2''-(4-(4-Aminobenzyl)-3,6,9-triaza-1(2,6)-pyridinacyclodecaphane-3,6,9-triyl)triacetic acid
2,2',2'',2'''-(2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
(S)-2,2',2'',2'''-(2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid