BAY 85-3934

CAT: 0024-sc-507384Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-507384Size:5 mg

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

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CAS Number

1154028-82-6

Chemical Information

Molidustat

Molidustat is under investigation in clinical trial NCT03350321 (A Study of Molidustat for Correction of Renal Anemia in Non-dialysis Subjects).

CAS Number	1154028-82-6
PubChem CID	59603622
IUPAC Name	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one
Molecular Formula	C13H14N8O2
Molecular Weight	314.30
XLogP	-0.2
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	481

SMILES

C1COCCN1C2=NC=NC(=C2)N3C(=O)C(=CN3)N4C=CN=N4

InChI

InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2

InChIKey

IJMBOKOTALXLKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1154028-82-6

CID: 59603622

Formula: C13H14N8O2

MW: 314.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.30
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	314.12397172
Monoisotopic Mass	314.12397172
Topological Polar Surface Area	101 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	481
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