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Pteridin-4-ol

CAS No.:
700-47-0
Catalog Number:
AG0038H3
Molecular Formula:
C6H4N4O
Molecular Weight:
148.1222
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Product Description
Catalog Number:
AG0038H3
Chemical Name:
Pteridin-4-ol
CAS Number:
700-47-0
Molecular Formula:
C6H4N4O
Molecular Weight:
148.1222
MDL Number:
MFCD00039725
IUPAC Name:
3H-pteridin-4-one
InChI:
InChI=1S/C6H4N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1-3H,(H,8,9,10,11)
InChI Key:
UWWUXWWWOUNMKW-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1nccn2
EC Number:
211-845-1
NSC Number:
67308
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.039g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.125g/mol
Monoisotopic Mass:
148.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Literature
Title Journal
Biology and chemistry of the inhibition of nitric oxide synthases by pteridine-derivatives as therapeutic agents. Medicinal research reviews 20040901
Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin. The Journal of biological chemistry 20011228
Properties