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TAMRA-PEG4-methyltetrazine
Catalog NumberCCR2163772196
CAS Number2163772-19-6
CategoryTetrazines
| Synonyms | TAMRA methyltetrazine |
| IUPAC Name | 2-[3-(Dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-5-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoate |
| Molecular Weight | 775.8 |
| Molecular Formula | C42H45N7O8 |
| SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)C3=CC(=C(C=C3)C4=C5C=CC(=[N+](C)C)C=C5OC6=C4C=CC(=C6)N(C)C)C(=O)[O-] |
| InChI | InChI=1S/C42H45N7O8/c1-27-44-46-40(47-45-27)28-6-11-32(12-7-28)56-23-22-55-21-20-54-19-18-53-17-16-43-41(50)29-8-13-33(36(24-29)42(51)52)39-34-14-9-30(48(2)3)25-37(34)57-38-26-31(49(4)5)10-15-35(38)39/h6-15,24-26H,16-23H2,1-5H3,(H-,43,50,51,52) |
| InChI Key | SPHPUTOWAPVULR-UHFFFAOYSA-N |
| Application | IEDDA Click Reaction |
| Complexity | 1420 |
| Exact Mass | 775.33296142 |
| Monoisotopic Mass | 775.33296142 |
| Topological Polar Surface Area | 173Ų |
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