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Daprodustat Impurity 9

CAT: 1299-RM-D012009-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D012009-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3048437-54-0
Synonyms
1,3-dicyclohexyl-2,4,6-trioxohexahydropyrimidine-5-carboxylic acid
Molecular Formula
C17H24N2O5
Molecular Weight
336.38
Target Alternative Name
Daprodustat
Product Name Synonym
1,3-dicyclohexyl-2,4,6-trioxohexahydropyrimidine-5-carboxylic acid

Chemical Information

1,3-Dicyclohexyl-2,4,6-trioxohexahydropyrimidine-5-carboxylic acid
CAS Number3048437-54-0
PubChem CID171716389
IUPAC Name1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carboxylic acid
Molecular FormulaC17H24N2O5
Molecular Weight336.4
XLogP3.2
Topological Polar Surface Area95
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity509
SMILES
C1CCC(CC1)N2C(=O)C(C(=O)N(C2=O)C3CCCCC3)C(=O)O
InChI
InChI=1S/C17H24N2O5/c20-14-13(16(22)23)15(21)19(12-9-5-2-6-10-12)17(24)18(14)11-7-3-1-4-8-11/h11-13H,1-10H2,(H,22,23)
InChIKey
RDCODJSKYSXJTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dicyclohexyl-2,4,6-trioxohexahydropyrimidine-5-carboxylic acid
CAS: 3048437-54-0
CID: 171716389
Formula: C17H24N2O5
MW: 336.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass336.16852187
Monoisotopic Mass336.16852187
Topological Polar Surface Area95 Ų
Heavy Atom Count24
Formal Charge0
Complexity509
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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