Roxadustat Impurity 15

CAT: 1596-AR-R11601-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-R11601-02Size:25 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1509958-20-6

Molecular Formula

C20H17NO6

Molecular Weight

367.36

API Name

Roxadustat

Chemical Information

Methyl 1-(acetoxymethyl)-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate

CAS Number	1509958-20-6
PubChem CID	86709145
IUPAC Name	methyl 1-(acetyloxymethyl)-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
Molecular Formula	C20H17NO6
Molecular Weight	367.4
XLogP	3.7
Topological Polar Surface Area	95
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	521

SMILES

CC(=O)OCC1=NC(=C(C2=C1C=C(C=C2)OC3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C20H17NO6/c1-12(22)26-11-17-16-10-14(27-13-6-4-3-5-7-13)8-9-15(16)19(23)18(21-17)20(24)25-2/h3-10,23H,11H2,1-2H3

InChIKey

WINYLDYXBSCYCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1509958-20-6

CID: 86709145

Formula: C20H17NO6

MW: 367.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	367.4
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	367.10558726
Monoisotopic Mass	367.10558726
Topological Polar Surface Area	95 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	521
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes