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N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8alpha,9S)-10,11-dihydro-6'-methoxy-9-cinchonanyl]thiourea

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8alpha,9S)-10,11-dihydro-6'-methoxy-9-cinchonanyl]thiourea - CAS 852913-19-0

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8alpha,9S)-10,11-dihydro-6'-methoxy-9-cinchonanyl]thiourea (CAS# 852913-19-0 ) is a useful research chemical.

Catalog Number

852913-19-0

CAS

852913-19-0

IUPAC Name

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

Synonyms

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

Molecular Weight

596.63

Molecular Formula

C29H30F6N4OS

Product Information

Canonical SMILES

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C29H30F6N4OS/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/h4-6,8,11-14,16-17,25-26H,3,7,9-10,15H2,1-2H3,(H2,37,38,41)/t16-,17-,25-,26-/m0/s1

InChI Key

KBYUJTLQXUVPQI-FRSFCCSCSA-N

Purity

90 %

MDL

MFCD16875669

Storage

Inert atmosphere. Keep cold.

Optical Activity

-107.0±5.0°( c = 1 in chloroform)

Hazard Class

6.1

WGK Germany

Packing Groups

III

Safety Information

Signal Word

Danger

Precautionary Statement

P264, P270, P301+P310, P321, P330, P405, and P501

Hazard Statements

H413

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N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8alpha,9S)-10,11-dihydro-6'-methoxy-9-cinchonanyl]thiourea - CAS 852913-19-0

Product Information

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