Roxadustat Impurity 8

CAT: 1596-AR-R11594-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11594-02Size:25 Units

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

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CAS Number

808116-52-1

Synonyms

Ethyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate

Molecular Formula

C18H15NO4

Molecular Weight

309.321

API Name

Roxadustat

Chemical Information

Ethyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate

CAS Number	808116-52-1
PubChem CID	66713057
IUPAC Name	ethyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
Molecular Formula	C18H15NO4
Molecular Weight	309.3
XLogP	4.4
Topological Polar Surface Area	68.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	396

SMILES

CCOC(=O)C1=NC=C2C=C(C=CC2=C1O)OC3=CC=CC=C3

InChI

InChI=1S/C18H15NO4/c1-2-22-18(21)16-17(20)15-9-8-14(10-12(15)11-19-16)23-13-6-4-3-5-7-13/h3-11,20H,2H2,1H3

InChIKey

WEANEDLYMJPBOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 808116-52-1

CID: 66713057

Formula: C18H15NO4

MW: 309.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.3
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	309.10010796
Monoisotopic Mass	309.10010796
Topological Polar Surface Area	68.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	396
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