| CAS Number | 1402837-78-8 |
| Catalog Number | AG009CIE(AGN-PC-0WGGDP) |
| Chemical Name | IDO-IN-7 |
| IUPAC Name | 4-[(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl]cyclohexan-1-ol |
| InChI | InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17+/m0/s1 |
| InChI Key | YGACXVRLDHEXKY-LHPNLFKDSA-N |
| MDL Number | MFCD29472253 |
| Molecular Formula | C18H21FN2O2 |
| Molecular Weight | 316.3699 |
| SMILES | O[C@@H]([C@@]1([H])CC[C@@H](CC1)O)C[C@H]2C3=C(F)C=CC=C3C4=CN=CN42 |
| UNII | 926SHL95NC |
| Synonyms | Navoximod,
IDO-IN-7,
1402837-78-8,
UNII-926SHL95NC,
926SHL95NC,
RO7077339-001,
Navoximod [USAN],
CHEMBL3989951,
SCHEMBL13469854,
SCHEMBL13469866,
SCHEMBL15511408,
HY-18770B,
ZINC253387955,
CS-5088,
5H-Imidazo(5,1-a)isoindole-5-ethanol, 6-fluoro-alpha-(trans-4-hydroxycyclohexyl)-, (alphaR,5S)-,
NLG-919,
GDC-0919,
|
| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.376g/mol |
| Monoisotopic Mass | 316.159g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number