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Molecule record

(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

C22H19N3O4

389.41 g/mol

Loading structure

Molecular properties

Formula
C22H19N3O4
Molar mass
389.41 g·mol−1
Exact mass
389.1375 Da
15
PubChem CID
110635

Functional groups

Alkane / alkyl carbon
Amide
Aromatic ring
Ether
Tertiary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (6R,12aR)-2,3,6,7,12,12a-Hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione
  • (6R-trans)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-methyl-pyrazino(1',2':1,6)pyrido(3,4-b)indole-1,4-dione
  • 171596-29-5
  • 742SXX0ICT
  • ADCIRCA
  • ALYQ
  • CHEBI:71940
  • CHEWTADZY
Show all 24 synonyms
  • Cialis
  • DTXCID7026786
  • DTXSID9046786
  • ENTADFI COMPONENT TADALAFIL
  • IC-351
  • Ic351
  • LY-450190
  • LY450190
  • NSC-750236
  • NSC-759172
  • OPSYNVI COMPONENT TADALAFIL
  • Tadalafil
  • Tadalafil mylan
  • Tadalafilo
  • Trans-tadalafil
  • tadalafilum

Structure identifiers

Canonical SMILES
CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O
Isomeric SMILES
CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
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
PubChem CID
110635

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (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; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (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; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0… - Formula, Structure | ChemArche