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ChemicalBook--->CAS DataBase List--->188113-71-5

188113-71-5

188113-71-5 Structure

188113-71-5 Structure
IdentificationBack Directory
[Name]

1-ACETYL-3-[((2R)-1-METHYLPYRROLIDIN-2-YL)METHYL]-5-[(E)-2-(PHENYLSULFONYL)VINYL]INDOLE
[CAS]

188113-71-5
[Synonyms]

N-Acetyl-dehydro-Eletriptan
Eletriptan Dehydro N-Acetyl Imp
Eletriptan Dehydro N-Acetyl Impurity
1-ACETYL-3-[((2R)-1-METHYLPYRROLIDIN-2-YL)METHYL]-5-[(E)-2-(PHENYLSULFONYL)VINYL]INDOLE
(R)-1-ACETYL-5(2-BENZENE SULPHONYL ETHENYL)-3-(N-METHYLPYRROLIDIN-2-YL-METHYL-1H-INDOLE
(R)-1-(3-((1-Methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone
1-[3-[[(2R)-1-METHYL-2-PYRROLIDINYL]METHYL]-5-[(1E)-2-(PHENYLSULFONYL)ETHENYL]-1H-INDOL-1-YL]-
(S,E)-1-(3-((1-Methylpyrrolidin-2-yl)Methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone
(R,E)-1-(3-((1-methylpyrrolidin-2-yl)methyl)-5-(2-(phenylsulfonyl)vinyl)-1H-indol-1-yl)ethanone
1-[3-[[(2R)-1-METHYL-2-PYRROLIDINYL]METHYL]-5-[(1E)-2-(PHENYLSULFONYL)ETHENYL]-1H-INDOL-1-YL]ETHANONE
Ethanone, 1-[3-[[(2R)-1-Methyl-2-pyrrolidinyl]Methyl]-5-[(1E)-2-(phenylsulfonyl)ethenyl]-1H-indol-1-yl]-
[Molecular Formula]

C24H26N2O3S
[MDL Number]

MFCD22989071
[MOL File]

188113-71-5.mol
[Molecular Weight]

422.54
Chemical PropertiesBack Directory
[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)
[form ]

Solid
[pka]

10.20±0.40(Predicted)
[color ]

Pale Beige to Light Brown
[Stability:]

Light Sensitive
[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
Safety DataBack Directory
[Symbol(GHS) ]


GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H317-H318
[Precautionary statements ]

P261-P272-P280-P302+P352-P305+P351+P338-P310-P321-P333+P313-P363-P501
Hazard InformationBack Directory
[Uses]

N-Acetyl-dehydro-Eletriptan, is the impurity of Eletriptan (E505000), which is A serotonin 5-HTIB/ID receptor agonist, used for the treatment of migraine headaches.
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