N-Octyl-nortadalafil

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Systematic / IUPAC Name: 6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-2-octylpyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

ID: Reference841

Other Names: (6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2-octyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Formula: C29H33N3O4

Class: Counterfeit Drug (Therapeutic) Illegal Additives

Spectral Data

N-Octyl-nortadalafil mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 194
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/13/2016 11:06:23 AM
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Identificators

InChI InChI=1S/C29H33N3O4/c1-2-3-4-5-6-9-14-31-17-26(33)32-23(29(31)34)16-21-20-10-7-8-11-22(20)30-27(21)28(32)19-12-13-24-25(15-19)36-18-35-24/h7-8,10-13,15,23,28,30H,2-6,9,14,16-18H2,1H3
InChI Key JIMWYJMUPCVOFA-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
CAS 1173706358
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Other Names (6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2-octyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

In Other Databases

PubChem 74429963
ChemSpider 29787722