| CAS Number | 1345614-59-6 |
| Catalog Number | AG009C8Y(AGN-PC-0WG3BJ) |
| Chemical Name | AM-095 |
| IUPAC Name | sodium;2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetate |
| InChI | InChI=1S/C27H24N2O5.Na/c1-17-25(28-27(32)33-18(2)20-6-4-3-5-7-20)26(34-29-17)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-24(30)31;/h3-15,18H,16H2,1-2H3,(H,28,32)(H,30,31);/q;+1/p-1/t18-;/m1./s1 |
| InChI Key | BDKDADFSIDCQGB-GMUIIQOCSA-M |
| MDL Number | MFCD23380594 |
| Molecular Formula | C27H23N2NaO5 |
| Molecular Weight | 478.4717 |
| SMILES | CC1=NOC(=C1NC(=O)O[C@H](C)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)CC(=O)[O-].[Na+] |
| Synonyms | AM095,
1345614-59-6,
AM-095,
AM095 sodium,
C27H23N2O5.Na,
DTXSID70693387,
BCP16047,
EX-A1954,
3438AH,
AKOS030526424,
CS-1118,
AM095, >=98% (HPLC),
HY-16039,
Sodium (R)-2-(4'-(3-methyl-4-(((1-phenylethoxy)carbonyl)amino)isoxazol-5-yl)-[1,1'-biphenyl]-4-yl)acetate,
Sodium {4'-[3-methyl-4-({[(1R)-1-phenylethoxy]carbonyl}amino)-1,2-oxazol-5-yl][1,1'-biphenyl]-4-yl}acetate,
BDKDADFSIDCQGB-GMUIIQOCSA-M,
A13981,
|
| Complexity | 673 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 478.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 478.48g/mol |
| Monoisotopic Mass | 478.15g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number