| CAS Number | 802916-30-9 |
| Catalog Number | AG00G83H(AGN-PC-0UGTN2) |
| Chemical Name | CaSR antagonist 18c |
| IUPAC Name | 6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide |
| InChI | InChI=1S/C32H35N3O6/c1-38-27-19-23(20-28(39-2)31(27)40-3)30-26(32(37)33-16-17-41-25-12-8-5-9-13-25)14-15-29(35-30)34-24(21-36)18-22-10-6-4-7-11-22/h4-15,19-20,24,36H,16-18,21H2,1-3H3,(H,33,37)(H,34,35)/t24-/m0/s1 |
| InChI Key | FCBOUJYKAGWYQM-DEOSSOPVSA-N |
| MDL Number | MFCD22123239 |
| Molecular Formula | C32H35N3O6 |
| Molecular Weight | 557.6368 |
| SMILES | OCC(Nc1ccc(c(n1)c1cc(OC)c(c(c1)OC)OC)C(=O)NCCOc1ccccc1)Cc1ccccc1 |
| Synonyms | CaSR antagonist 18c,
CHEMBL457071,
SCHEMBL13996885,
BDBM28017,
ZINC43064519,
trisubstituted pyridine analogue, 18c,
NCGC00386630-01,
(S)-6-(1-hydroxy-3-phenylpropan-2-ylamino)-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)nicotinamide,
6-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide,
802916-30-9,
CID11410354,
CID 11410354,
|
| Complexity | 733 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 557.253g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 557.647g/mol |
| Monoisotopic Mass | 557.253g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number