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Roxadustat-d5

CAT: 1596-AR-R11611-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R11611-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2043026-13-5
Synonyms
(4-hydroxy-1-methyl-7- (phenoxy-d5) isoquinoline-3-carbonyl) glycine
Molecular Formula
C19H11D5N2O5
Molecular Weight
357.38
API Name
Roxadustat

Chemical Information

Roxadustat-d5
CAS Number2043026-13-5
PubChem CID141649539
IUPAC Name2-[[4-hydroxy-1-methyl-7-(2,3,4,5,6-pentadeuteriophenoxy)isoquinoline-3-carbonyl]amino]acetic acid
Molecular FormulaC19H16N2O5
Molecular Weight357.4
XLogP3.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity508
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=CC3=C(N=C(C(=C3C=C2)O)C(=O)NCC(=O)O)C)[2H])[2H]
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)/i2D,3D,4D,5D,6D
InChIKey
YOZBGTLTNGAVFU-VIQYUKPQSA-N
Chemical Structure
2D Structure
2D structure of Roxadustat-d5
CAS: 2043026-13-5
CID: 141649539
Formula: C19H16N2O5
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass357.13730534
Monoisotopic Mass357.13730534
Topological Polar Surface Area109 Ų
Heavy Atom Count26
Formal Charge0
Complexity508
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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