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Tadalafil
SpectraBase Compound ID L23F2ipq7Zk
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
Mol Weight 389.41 g/mol
Molecular Formula C22H19N3O4
Exact Mass 389.137556 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BQ1XjxjQfsS
Name Tadalafil
Source of Sample Cayman Chemical Company
Catalog Number 14024
Lot Number 0455537-1
CAS Registry Number 171596-29-5
Classification phosphodiesterase 5 inhibitor
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N3O4
IUPAC Name (6R)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12aR-hexahydro-2-methyl-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
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
Instrument Name Bio-Rad FTS
Molecular Weight 389.411 g/mol
SMILES [nH]1c2[C@](N3C(CN(C([C@]3(Cc2c2ccccc12)[H])=O)C)=O)(c1ccc2OCOc2c1)[H]
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms (6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12α-hexahydro-2-methylpyrazino[1,2:1,6]pyrido[3,4-b]indole-1,4-dione; Cialis; Tildenafil
Technique KBr0