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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H317May cause an allergic skin reaction

H318Causes serious eye damage

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P272Contaminated work clothing should not be allowed out of the workplace.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P310Immediately call a POISON CENTER or doctor/physician.

P321Specific treatment (see … on this label).

P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.

P363Wash contaminated clothing before reuse.

P501Dispose of contents/container to..…

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

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.