| CAS Number | 1616690-16-4 |
| Catalog Number | AG01EOG6(AGN-PC-3H46D5) |
| Chemical Name | Desidustat |
| IUPAC Name | 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid |
| InChI | InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20) |
| InChI Key | IKRKQQLJYBAPQT-UHFFFAOYSA-N |
| MDL Number | MFCD31630836 |
| Molecular Formula | C16H16N2O6 |
| Molecular Weight | 332.3080 |
| SMILES | O=C(O)CNC(C1=C(O)C2=C(N(OCC3CC3)C1=O)C=CC=C2)=O |
| UNII | Y962PQA4KS |
| Synonyms | 2-(1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid,
desidustat,
ZYAN1 compound,
Desidustat,
1616690-16-4,
UNII-Y962PQA4KS,
Y962PQA4KS,
Desidustat [INN],
SCHEMBL15846922,
CS-8034,
HY-103227,
A16921,
Glycine, N-((1-(cyclopropylmethoxy)-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinyl)carbonyl)-,
N-(1-(Cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine,
|
| Complexity | 583 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.312g/mol |
| Monoisotopic Mass | 332.101g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number