sapropterin dihydrochloride (CHEBI:32120)

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CHEBI:32120 - sapropterin dihydrochloride

ChEBI ID	CHEBI:32120
ChEBI Name	sapropterin dihydrochloride
Stars
Definition	The dihydrochloride salt of sapropterin. It is used for the diagnosis and treatment of variant forms of phenylketonuria (hyperphenylalaninaemia) associated with tetrahydrobiopterin deficiency. Natural cofactor for phenylalanine hydroxylase, tyrosine hydroxylase, tryptophan hydroxylase, and nitric oxide synthetase.
Last Modified	20 February 2012
Downloads	Molfile

Formula	C9H15N5O3.2HCl
Net Charge	0
Average Mass	314.173
Monoisotopic Mass	313.07084
SMILES	Cl.Cl.[H][C@]1([C@@H](O)[C@H](C)O)CNc2nc(N)nc(=O)c2N1
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
InChIKey	RKSUYBCOVNCALL-NTVURLEBSA-N

Roles Classification

Biological Role:

coenzyme A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.

Applications:

diagnostic agent A substance administered to aid diagnosis of a disease.

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood.

antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.

antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.

ChEBI Ontology

Outgoing Relation(s)
	sapropterin dihydrochloride (CHEBI:32120) has part sapropterin (CHEBI:59560)
	sapropterin dihydrochloride (CHEBI:32120) has role anti-anaemic agent (CHEBI:75835)
	sapropterin dihydrochloride (CHEBI:32120) has role antihypertensive agent (CHEBI:35674)
	sapropterin dihydrochloride (CHEBI:32120) has role antineoplastic agent (CHEBI:35610)
	sapropterin dihydrochloride (CHEBI:32120) has role antipsychotic agent (CHEBI:35476)
	sapropterin dihydrochloride (CHEBI:32120) has role cardiovascular drug (CHEBI:35554)
	sapropterin dihydrochloride (CHEBI:32120) has role coenzyme (CHEBI:23354)
	sapropterin dihydrochloride (CHEBI:32120) has role diagnostic agent (CHEBI:33295)
	sapropterin dihydrochloride (CHEBI:32120) is a hydrochloride (CHEBI:36807)
	sapropterin dihydrochloride (CHEBI:32120) is a organic molecular entity (CHEBI:50860)
	sapropterin dihydrochloride (CHEBI:32120) is a pterins (CHEBI:26375)

IUPAC Name
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one dihydrochloride

Synonyms	Source
(6R)-tetrahydrobiopterin dihydrochloride	ChEBI
(6R)-tetrahydrobiopterin hydrochloride	ChemIDplus
Biopten	ChEMBL
Dapropterin hydrochloride	ChEMBL
Phenoptin	ChEMBL
sapropterin 2HCl	ChEBI

Brand Name	Source
Sapropterin dipharma	ChEMBL

Manual Xrefs	Databases
D01798	KEGG DRUG

Registry Numbers	Sources
Reaxys:12490572	Reaxys
Beilstein:4613446	Beilstein
CAS:69056-38-8	KEGG DRUG
CAS:69056-38-8	ChemIDplus

Citations