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77086-19-2

Name (+)-MK 801 MALEATE
CAS 77086-19-2
Molecular Formula C16H15N
MDL Number MFCD00082466
Molecular Weight 221.3
MOL File 77086-19-2.mol
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Chemical Properties

Melting point  68.5-69.5°
alpha  589 -160.8° (c = 0.032 g/2 ml ethanol)
storage temp.  room temp
solubility  DMSO: >20mg/mL
form  solid
color  white
Optical Rotation [α]25/D 117.7°, c = 1 in methanol(lit.)
InChI 1S/C16H15N.C4H4O4/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16;5-3(6)1-2-4(7)8/h2-9,15,17H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,16+;/m0./s1
InChIKey QLTXKCWMEZIHBJ-FWHYOZOBSA-N
SMILES [H]\C(=C(/[H])C(O)=O)C(O)=O.[H][C@@]12Cc3ccccc3[C@@](C)(N1)c4ccccc24

Safety Data

WGK Germany  3
Storage Class 13 - Non Combustible Solids

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