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ChemicalBook--->CAS DataBase List--->1206123-37-6

1206123-37-6

1206123-37-6 Structure

1206123-37-6 Structure
IdentificationBack Directory
[Name]

Etrasimod
[CAS]

1206123-37-6
[Synonyms]

APD334
CS-2445
Etrasimod
Neflamapimod
APD-334;APD 334
Etrasimod(APD334)
APD334; APD-334; APD 334; ETRASIMOD
(R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
Cyclopent[b]indole-3-acetic acid, 7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydro-, (3R)-
[Molecular Formula]

C26H26F3NO3
[MDL Number]

MFCD28502134
[MOL File]

1206123-37-6.mol
[Molecular Weight]

457.48
Chemical PropertiesBack Directory
[Boiling point ]

621.4±50.0 °C(Predicted)
[density ]

1.326±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO:29.0(Max Conc. mg/mL);63.39(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.09(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);65.57(Max Conc. mM)
Ethanol:12.5(Max Conc. mg/mL);27.32(Max Conc. mM)
[form ]

A crystalline solid
[pka]

4.61±0.10(Predicted)
[color ]

White to khaki
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

Etrasimod(1206123-37-6)1HNMR
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