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Chemical structure of Tadalafil-d3

GC48121

Tadalafil-d3

Also known as (2R)-2-(1,3-benzodioxol-5-yl)-6-(trideuteriomethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

An internal standard for the quantification of tadalafil

ChemicalCAS960226-55-5MW392.4FormulaC22H16D3N3O4
CAS number
960226-55-5
Molecular weight
392.4
Formula
C22H16D3N3O4
Solubility
DMSO ： 100 mg/mL (254·83 mM; Need ultrasonic); DMSO ： 50 mg/mL (127·41 mM; Need ultrasonic)
InChIKey
WOXKDUGGOYFFRN-POJQBKEQSA-N
Catalogue number
GC48121
Brand
GLPBIO
Computed properties PubChem CID 45040455 · XLogP 2.3 · TPSA 74.9 Ų · H-bond donors 1
XLogP
2.3
TPSA
74.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
29

SMILES [2H]C([2H])([2H])N1CC(=O)N2[C@@H](C3=C(CC2C1=O)C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6

Computed descriptors from PubChem (CID 45040455), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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