CHEBI:181282 - cis-Tadalafil

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name cis-Tadalafil
ChEBI ID CHEBI:181282
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H19N3O4
Net Charge 0
Average Mass 389.411
Monoisotopic Mass 389.13756
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
InChIKey WOXKDUGGOYFFRN-UHFFFAOYSA-N
SMILES O=C1N(CC(=O)N2C1CC3=C(NC=4C3=CC=CC4)C2C5=CC=6OCOC6C=C5)C
ChEBI Ontology
Outgoing cis-Tadalafil (CHEBI:181282) is a β-carbolines (CHEBI:60834)
IUPAC Name
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
Manual Xref Database
8040831 ChemSpider
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