1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole Chemical Properties

Melting point:

>85°C (dec.)

Boiling point:

620.7±55.0 °C(Predicted)

Density 

1.23±0.1 g/cm3(Predicted)

storage temp. 

Amber Vial, -20°C Freezer, Under inert atmosphere

solubility 

Chloroform (Slightly), Methanol (Slightly)

pka

10.20±0.40(Predicted)

form 

Solid

color 

Pale Beige to Light Brown

Stability:

Light Sensitive

InChI

InChI=1S/C24H26N2O3S/c1-18(27)26-17-20(16-21-7-6-13-25(21)2)23-15-19(10-11-24(23)26)12-14-30(28,29)22-8-4-3-5-9-22/h3-5,8-12,14-15,17,21H,6-7,13,16H2,1-2H3/b14-12+/t21-/m1/s1

InChIKey

MDVODIFOKYRNHD-ZISLFAKRSA-N

SMILES

C(=O)(N1C2=C(C=C(/C=C/S(C3=CC=CC=C3)(=O)=O)C=C2)C(C[C@H]2CCCN2C)=C1)C

1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole Usage And Synthesis

Uses

N-Acetyl-dehydro-Eletriptan (1-acetyl-3-[((2r)-1-methylpyrrolidin-2-yl)methyl]-5-[(e)-2-(phenylsulfonyl)vinyl]indole), is the impurity of Eletriptan (E505000), which is A serotonin 5-HTIB/ID receptor agonist, used for the treatment of migraine headaches.