| CAS Number | 364071-16-9 |
| Catalog Number | AG00C6LK(AGN-PC-0RC7F5) |
| Chemical Name | OT-R antagonist 2 |
| IUPAC Name | N-(2-hydroxy-2-phenylethyl)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C28H29N3O4/c1-19-8-6-7-11-24(19)20-12-14-22(15-13-20)28(34)31-18-23(30-35-2)16-25(31)27(33)29-17-26(32)21-9-4-3-5-10-21/h3-15,25-26,32H,16-18H2,1-2H3,(H,29,33) |
| InChI Key | IBXGJPAYWMFXSF-UHFFFAOYSA-N |
| MDL Number | MFCD29924750 |
| Molecular Formula | C28H29N3O4 |
| Molecular Weight | 471.5476 |
| SMILES | N1(C(C2=CC=C(C3=CC=CC=C3C)C=C2)=O)C/C(=N/OC)/C[C@H]1C(NC[C@@H](O)C1=CC=CC=C1)=O |
| Synonyms | 364071-16-9,
SCHEMBL5483892,
IBXGJPAYWMFXSF-UHFFFAOYSA-N,
N-[2-hydroxy-2-phenylethyl]-4-(methoxyimino)-1-[(2'-methyl[1,1'-biphenyl]-4-yl)carbonyl]-2-pyrrolidine carboxamide,
OT-R antagonist 2,
OT-R antagonist 1,
364071-17-0,
|
| Complexity | 743 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 471.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 471.557g/mol |
| Monoisotopic Mass | 471.216g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 91.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number