| CAS Number | 2230197-64-3 |
| Catalog Number | AG01EON3(AGN-PC-3H46G2) |
| Chemical Name | GLP-1 receptor agonist-1 |
| IUPAC Name | 2-[[(2S)-4-[6-[(4-chloro-2-fluorophenyl)methoxy]pyridin-2-yl]-2-methylpiperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid |
| InChI | InChI=1S/C30H31ClFN5O4/c1-19-15-36(27-3-2-4-29(34-27)41-18-21-5-7-22(31)14-24(21)32)11-10-35(19)17-28-33-25-8-6-20(30(38)39)13-26(25)37(28)16-23-9-12-40-23/h2-8,13-14,19,23H,9-12,15-18H2,1H3,(H,38,39)/t19-,23-/m0/s1 |
| InChI Key | IGXAOFNNKAUXCJ-CVDCTZTESA-N |
| MDL Number | MFCD31715441 |
| Molecular Formula | C30H31ClFN5O4 |
| Molecular Weight | 580.0496 |
| SMILES | C1(CN2CCN(C3=NC(OCC4=CC=C(Cl)C=C4F)=CC=C3)C[C@@H]2C)N(C[C@@H]2CCO2)C2=CC(C(O)=O)=CC=C2N=1 |
| Synonyms | GLP-1 receptor agonist-1,
2230197-64-3,
SCHEMBL20266416,
HY-112679,
CS-0062504,
|
| Complexity | 892 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 579.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 580.057g/mol |
| Monoisotopic Mass | 579.205g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number