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Daprodustat Impurity 2

CAT: 1596-AR-D06430-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06430-04Size:100 Units
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CAS Number
2883118-63-4
Synonyms
3- (1,3-dicyclohexylureido) -3-oxopropanoic acid
Molecular Formula
C16H26N2O4
Molecular Weight
310.39
API Name
Daprodustat

Chemical Information

3-(1,3-Dicyclohexylureido)-3-oxopropanoic acid
CAS Number2883118-63-4
PubChem CID166530458
IUPAC Name3-[cyclohexyl(cyclohexylcarbamoyl)amino]-3-oxopropanoic acid
Molecular FormulaC16H26N2O4
Molecular Weight310.39
XLogP3.2
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity412
SMILES
C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC(=O)O
InChI
InChI=1S/C16H26N2O4/c19-14(11-15(20)21)18(13-9-5-2-6-10-13)16(22)17-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,17,22)(H,20,21)
InChIKey
FKUMWQVUVCHZPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1,3-Dicyclohexylureido)-3-oxopropanoic acid
CAS: 2883118-63-4
CID: 166530458
Formula: C16H26N2O4
MW: 310.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.39
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass310.18925731
Monoisotopic Mass310.18925731
Topological Polar Surface Area86.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity412
Isotope Atom Count0
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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