PharmaGSID 47315

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Systematic / IUPAC Name: (2-Ethyl-4-{[(4-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl)methyl]sulfanyl}phenoxy)acetic acid

ID: Reference2932

Other Names: Acetic acid, 2-(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl)methyl]thio}phenoxy)-

Formula: C33H34F3N3O4S2

Spectral Data

PharmaGSID 47315 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
No. of Spectral Trees 4
No. of Spectra 422
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 9/29/2015 12:58:14 PM
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Identificators

InChI InChI=1S/C33H34F3N3O4S2/c1-3-22-18-27(12-13-29(22)43-20-31(40)41)44-21-30-28(37-32(45-30)23-4-6-24(7-5-23)33(34,35)36)19-38-14-16-39(17-15-38)25-8-10-26(42-2)11-9-25/h4-13,18H,3,14-17,19-21H2,1-2H3,(H,40,41)
InChI Key CESIUPFUCGHEPP-UHFFFAOYSA-N
Canonical SMILES CCC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)CN4CCN(CC4)C5=CC=C(C=C5)OC)OCC(=O)O
CAS 444610917
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Other Names Acetic acid, 2-(2-ethyl-4-{[(4-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl)methyl]thio}phenoxy)-

In Other Databases

PubChem 10233356
ChemSpider 8408844
ChEMBL CHEMBL3184155