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
- 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][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O
- External Links
- KEGG Drug
- D01798
- ChemSpider
- 552166
- ChEBI
- 32120
- ChEMBL
- CHEMBL1201775
- Wikipedia
- Tetrahydrobiopterin
- Predicted Properties
Property Value Source Water Solubility 2.03 mg/mL ALOGPS logP -1.8 ALOGPS logP -2.3 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 7.82 Chemaxon pKa (Strongest Basic) 1.81 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 132 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 68.63 m3·mol-1 Chemaxon Polarizability 23.59 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon