Desidustat

CAT: 1299-RM-C331000-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C331000-02Size:25 mg

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CAS Number

1616690-16-4

Synonyms

(1- (cyclopropylmethoxy) -4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl) glycine

Molecular Formula

C16H16N2O6

Molecular Weight

332.31

Target Alternative Name

Desidustat

Product Name Synonym

(1- (cyclopropylmethoxy) -4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl) glycine

Chemical Information

Desidustat

Desidustat is a N-acyl-amino acid.

CAS Number	1616690-16-4
PubChem CID	75593290
IUPAC Name	2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
Molecular Formula	C16H16N2O6
Molecular Weight	332.31
XLogP	1.9
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	583

SMILES

C1CC1CON2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O

InChI

InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20)

InChIKey

IKRKQQLJYBAPQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1616690-16-4

CID: 75593290

Formula: C16H16N2O6

MW: 332.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.31
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	332.10083623
Monoisotopic Mass	332.10083623
Topological Polar Surface Area	116 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	583
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