| CAS Number | 1807518-70-2 |
| Catalog Number | AG00I07P(AGN-PC-0WR1OF) |
| Chemical Name | AZD-PEG2-acid |
| IUPAC Name | 3-[2-[3-oxo-3-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]propoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C20H26N2O7/c23-17(8-11-28-13-14-29-12-9-20(26)27)21-16-4-1-15(2-5-16)3-6-18(24)22-10-7-19(22)25/h1-2,4-5H,3,6-14H2,(H,21,23)(H,26,27) |
| InChI Key | ISVXAOFJPGUMDS-UHFFFAOYSA-N |
| MDL Number | MFCD27635166 |
| Molecular Formula | C20H26N2O7 |
| Molecular Weight | 406.4296 |
| SMILES | O=C(Nc1ccc(cc1)CCC(=O)N1CCC1=O)CCOCCOCCC(=O)O |
| Synonyms | Azd-peg2-acid,
AZD-PEG2 -acid,
1807518-70-2,
BIPG1087,
ZINC96503380,
BP-22032,
|
| Complexity | 573 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.435g/mol |
| Monoisotopic Mass | 406.174g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number