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Tadalafil
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- Concentration
- 30 mg per mL
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Molecular Formula | C22H19N3O4 |
Molecular Weight | 389.4 |
Monoisotopic Mass | 389.13755610 |
Polar Area | 74.9 |
Complexity | 702 |
XLogP | 2.3 |
Heavy Atom Count | 29 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Physical Appearance | White Opaque Liquid |
Stability | Room Temperature |
PubChem LCSS | Tadalafil Laboratory Chemical Safety Summary |
Property | Property Value |
---|---|
CID | 110635 |
CAS | 171596-29-5 |
InChI | InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8, 16, 21, 23H, 9-11H2, 1H3/t16-, 21-/m1/s1 |
InChIKey | WOXKDUGGOYFFRN-IIBYNOLFSA-N |
Isomeric SMILES | CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 |
Canonical SMILES | CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 |
IUPAC Name | (2R, 8R)-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 |
Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed May 20, 2024)
Interactive 3D representation of Tadalafil (CID 110635)
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