Sapropterin dihydrochlorideProduct ingredient for Sapropterin

Name
Sapropterin dihydrochloride
Drug Entry
Sapropterin

Sapropterin (tetrahydrobiopterin or BH4) is a cofactor in the synthesis of nitric oxide. It is also essential in the conversion of phenylalanine to tyrosine by the enzyme phenylalanine-4-hydroxylase; the conversion of tyrosine to L-dopa by the enzyme tyrosine hydroxylase; and conversion of tryptophan to 5-hydroxytryptophan via tryptophan hydroxylase.

Accession Number
DBSALT001133
Structure
Thumb
Synonyms
(6R)-tetrahydrobiopterin dihydrochloride / (6R)-tetrahydrobiopterin hydrochloride / Dapropterin hydrochloride / Phenoptin / sapropterin 2HCl / Sapropterin diHCl / Sapropterin hydrochloride
UNII
RG277LF5B3
CAS Number
69056-38-8
Weight
Average: 314.17
Monoisotopic: 313.0708448
Chemical Formula
C9H17Cl2N5O3
InChI Key
RKSUYBCOVNCALL-NTVURLEBSA-N
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
IUPAC Name
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3,4,5,6,7,8-hexahydropteridin-4-one dihydrochloride
SMILES
Cl.Cl.[H][[email protected]@]1(CNC2=C(N1)C(=O)NC(N)=N2)[[email protected]@H](O)[[email protected]](C)O
KEGG Drug
D01798
ChemSpider
552166
ChEBI
32120
ChEMBL
CHEMBL1201775
Wikipedia
Tetrahydrobiopterin
Predicted Properties
PropertyValueSource
Water Solubility2.03 mg/mLALOGPS
logP-1.8ALOGPS
logP-2.3ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)7.82ChemAxon
pKa (Strongest Basic)1.81ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area132 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity68.63 m3·mol-1ChemAxon
Polarizability23.59 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon