FG 4592

C₁₉H₁₆N₂O₅CAS 808118-40-3352.35 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ether Phenol

Properties

Molecular formula: C₁₉H₁₆N₂O₅
Molar mass: 352.35 g/mol
Exact mass: 352.1059 Da
logP: 2.86Crippen estimate
Polar surface area: 108.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

808118-40-3

SMILES

Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12

InChIKey

YOZBGTLTNGAVFU-UHFFFAOYSA-N

InChI

InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Glycine, N-[(4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]-
N-[(4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl]glycine
[[(4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]amino]acetic acid
ASP 1517
Roxadustat
(4-Hydroxy-1-methyl-7-phenoxyisoquinoline-3-carbonyl)glycine
[(4-Hydroxy-1-methyl-7-phenoxyisoquinolin-3-yl)carbonyl]glycine

Work with FG 4592

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylate1421312-34-662 % similar Methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate1455091-10-741 % similar 3-Phenoxyphenylacetic acid32852-81-638 % similar 4-Phenoxyphenylacetic acid6328-74-138 % similar N-Hippurylglycine1145-32-038 % similar p-Methylhippuric acid27115-50-037 % similar Gw9508885101-89-334 % similar 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine931398-72-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook