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Details

Stereochemistry ACHIRAL
Molecular Formula 2C10H13N3.H2O4S
Molecular Weight 448.539
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEBRISOQUIN SULFATE

SMILES

OS(O)(=O)=O.NC(=N)N1CCC2=C(C1)C=CC=C2.NC(=N)N3CCC4=C(C3)C=CC=C4

InChI

InChIKey=CAYGYVYWRIHZCQ-UHFFFAOYSA-N
InChI=1S/2C10H13N3.H2O4S/c2*11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h2*1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C10H13N3
Molecular Weight 175.2303
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Debrisoquin is an antihypertensive drug having guanethidine-like properties, which inhibits monoamine oxidase (MAO) and does not enter the brain. Debrisoquine was used for the treatment of hypertension. Debrisoquine hydroxylation phenotype has been the most used test in humans to evaluate CYP2D6 activity. Two debrisoquine hydroxylation phenotypes have been described: poor and extensive metabolizers. A group with a very low debrisoquine metabolic ratio within the extensive metabolizers, named ultrarapid metabolizers, has also been distinguished. This CYP2D6 variability can be for a large part alternatively determined by genotyping, which appears to be of clinical importance given CYP2D6 involvement in the metabolism of a large number of commonly prescribed drugs.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.5 µM [IC50]
8.8 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
DECLINAX

Funbound

ValueDoseCo-administeredAnalytePopulation
75%
DEBRISOQUIN plasma
Homo sapiens

Doses

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Adult: 10-20 mg once-bid, increased by 10-20 mg every 3 or 4 days according to severity of condition. Maintenance: 20-120 mg daily. Max Dosage: ≥300 mg daily. More: https://www.ndrugs.com/?s=declinax
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
Q94064N9NW
Record Status Validated (UNII)
Record Version