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Product Overview

Product Code

TRC-A575190

CAS Number

913358-93-7

Product Format

Neat

Molecular Formula

C29H31F3N2O3. HCl

Molecular Weight

512.6

Product Categories

Additional Neuro Products, TRC, Sleep

Product Type

Bioactive Small Molecule

Alternate CAS Number

Free Base: 871224-64-5

Documentation

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Product Information

Chemical Data

Analyte Name

Almorexant Hydrochloride

CAS Number

913358-93-7

Molecular Formula

C29H31F3N2O3. HCl

Molecular Weight

512.6

Accurate Mass

548.2054

SMILES

Cl.CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc3ccc(cc3)C(F)(F)F)c4ccccc4

InChI

InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1

IUPAC

(2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide

Alternate CAS Number

Free Base: 871224-64-5

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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