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N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(9R)-6-methoxy-9-cinchonanyl]thiourea

N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(9R)-6-methoxy-9-cinchonanyl]thiourea - CAS 852913-25-8

N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(9R)-6-methoxy-9-cinchonanyl]thiourea (CAS# 852913-25-8 ) is a useful research chemical.

Catalog Number

852913-25-8

CAS

852913-25-8

IUPAC Name

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea

Synonyms

1-[3,5-Bis(trifluoromethyl)phenyl)-3-{(R)(6-methoxy-4-quinolinyl)-[(2R,4S,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl]me

Molecular Weight

594.61

Molecular Formula

C29H28F6N4OS

Product Information

Canonical SMILES

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H28F6N4OS/c1-3-16-15-39-9-7-17(16)10-25(39)26(22-6-8-36-24-5-4-21(40-2)14-23(22)24)38-27(41)37-20-12-18(28(30,31)32)11-19(13-20)29(33,34)35/h3-6,8,11-14,16-17,25-26H,1,7,9-10,15H2,2H3,(H2,37,38,41)/t16-,17-,25+,26+/m0/s1

InChI Key

IQMKPBFOEWWDIQ-ZRJNXXGPSA-N

Purity

≥ 90 %

MDL

MFCD16621389

Storage

Inert atmosphere. Keep cold.

Melting Point

150 °C

Optical Activity

+174° ( c=0.5 in chloroform)

Hazard Class

6.1

WGK Germany

Packing Groups

III

Safety Information

Signal Word

Danger

Precautionary Statement

P301+P310

Hazard Statements

H301

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(9R)-6-methoxy-9-cinchonanyl]thiourea - CAS 852913-25-8

Product Information

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