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Chemical structure of ent-Tadalafil

GC39288

ent-Tadalafil

Also known as (2S,8S)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

ent-Tadalafil (ent-IC-351), compound (6S,12aS), is a inactive cis-enantiomer of compound (6R,12aS)· compound (6R,12aS) is a potent PDE5 inhibitor with an IC50 of 0·090 μM, while ent-Tadalafil is inactive at concentrations up to 10 ?M

ChemicalCAS629652-72-8MW389.4FormulaC22H19N3O4
CAS number
629652-72-8
Molecular weight
389.4
Formula
C22H19N3O4
Solubility
Soluble in DMSO
InChIKey
WOXKDUGGOYFFRN-KKSFZXQISA-N
Catalogue number
GC39288
Brand
GLPBIO
Computed properties PubChem CID 9908373 · 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 CN1CC(=O)N2[C@H](C1=O)CC3=C([C@@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36

Computed descriptors from PubChem (CID 9908373), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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