68989-00-4 Purity
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Specification
The molecular formula is C9H17Cl2N5O3.
The molecular weight is 314.17 g/mol.
Some synonyms include Sapropterin dihydrochloride, Biopten, and Sapropterin HCl.
It is a natural cofactor for phenylalanine hydroxylase, tyrosine hydroxylase, tryptophan hydroxylase, and nitric oxide synthetase.
The IUPAC name is (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride.
The Canonical SMILES is CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O.Cl.Cl.
The InChIKey is RKSUYBCOVNCALL-NTVURLEBSA-N.
The CAS number is 69056-38-8.
The compound has 8 hydrogen bond donor counts.
The topological polar surface area is 132 Ų.