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5-Bromo-5'-methyl BAPTA tetramethyl ester
| Catalog Number | A14-0119 |
| Category | Calcium, Chloride and Other indicators |
| Molecular Formula | C27H33BrN2O10 |
| Molecular Weight | 625.46 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
5-Bromo-5'-methyl BAPTA tetramethyl ester is a derivative of BAPTA, which is a calcium indicator suitable for measurement of relatively high level of calcium.
Chemical Information
Computed Properties
| IUPAC Name | methyl 2-[2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]-5-bromophenoxy]ethoxy]-N-(2-methoxy-2-oxoethyl)-4-methylanilino]acetate |
| Canonical SMILES | CC1=CC(=C(C=C1)N(CC(=O)OC)CC(=O)OC)OCCOC2=C(C=CC(=C2)Br)N(CC(=O)OC)CC(=O)OC |
| InChI | InChI=1S/C27H33BrN2O10/c1-18-6-8-20(29(14-24(31)35-2)15-25(32)36-3)22(12-18)39-10-11-40-23-13-19(28)7-9-21(23)30(16-26(33)37-4)17-27(34)38-5/h6-9,12-13H,10-11,14-17H2,1-5H3 |
| InChIKey | SXCYTVPSAWGQKM-UHFFFAOYSA-N |
| Appearance | Solid Powder |
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 19 |
| Exact Mass | 624.13186 g/mol |
| Monoisotopic Mass | 624.13186 g/mol |
| Topological Polar Surface Area | 130Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 795 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |
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