SAPROPTERIN DIHYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII RG277LF5B3
EPA CompTox DTXSID0040620
Parent Compound: SAPROPTERIN

Structure

InChI Key RKSUYBCOVNCALL-NTVURLEBSA-N
Smiles C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1.Cl.Cl
InChI
InChI=1S/C9H15N5O3.2ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);2*1H/t3-,4+,6-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H17Cl2N5O3
Molecular Weight 314.17
AlogP -1.29
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 136.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Phenylalanine-4-hydroxylase activator ACTIVATOR DailyMed

Cross References

Resources Reference
ChEBI 32120
ChEMBL CHEMBL1201775
FDA SRS RG277LF5B3
KEGG C00272
PDB H4B
PubChem 135409471
SureChEMBL SCHEMBL258963
ZINC ZINC13585233
CONTENTS