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Chemical structure of N-Desethylvardenafil

GC44345

N-Desethylvardenafil

Also listed as N-Desethyl Vardenafil

N-Desethyl vardenafil is a metabolite of vardenafil , a phosphodiesterase 5 inhibitor, that is formed by the action of cytochrome P450 (CYP)3A4 and CYP3A5

ChemicalCAS448184-46-1MW460.6FormulaC21H28N6O4S
CAS number
448184-46-1
Molecular weight
460.6
Formula
C21H28N6O4S
Solubility
DMF： 30mg/mL,DMSO： 30 mg/mL,Ethanol： 30 mg/mL,Ethanol：PBS (pH 7·2) (1：4)： 0·2 mg/mL
InChIKey
OKUKNGDVADFTHE-UHFFFAOYSA-N
Catalogue number
GC44345
Brand
GLPBIO
Computed properties PubChem CID 135565210 · XLogP 1.6 · TPSA 126 Ų · H-bond donors 2
XLogP
1.6
TPSA
126 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32

SMILES CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCC)C

Computed descriptors from PubChem (CID 135565210), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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