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Details

Stereochemistry ACHIRAL
Molecular Formula C22H24N2O2S
Molecular Weight 380.503
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (R,E)-3-((1-METHYLPYRROLIDIN-2-YL)METHYL)-5-(2-(PHENYLSULFONYL)VINYL)-1H-INDOLE

SMILES

CN1CCC[C@@H]1CC2=CNC3=CC=C(\C=C\S(=O)(=O)C4=CC=CC=C4)C=C23

InChI

InChIKey=MJICWWOZPCLNBP-XSSIKURBSA-N
InChI=1S/C22H24N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-11,13-14,16,19,23H,5-6,12,15H2,1H3/b13-11+/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24N2O2S
Molecular Weight 380.503
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:12:31 UTC 2023
Edited
by admin
on Sat Dec 16 11:12:31 UTC 2023
Record UNII
FEU571D9TF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(R,E)-3-((1-METHYLPYRROLIDIN-2-YL)METHYL)-5-(2-(PHENYLSULFONYL)VINYL)-1H-INDOLE
Systematic Name English
ELETRIPTAN RELATED COMPOUND C [USP IMPURITY]
Common Name English
ELETRIPTAN VINYL ANALOG [USP IMPURITY]
Common Name English
1H-INDOLE, 3-(((2R)-1-METHYL-2-PYRROLIDINYL)METHYL)-5-(2-(PHENYLSULFONYL)ETHENYL)-
Common Name English
Code System Code Type Description
CAS
180637-89-2
Created by admin on Sat Dec 16 11:12:31 UTC 2023 , Edited by admin on Sat Dec 16 11:12:31 UTC 2023
PRIMARY
PUBCHEM
15840036
Created by admin on Sat Dec 16 11:12:31 UTC 2023 , Edited by admin on Sat Dec 16 11:12:31 UTC 2023
PRIMARY
FDA UNII
FEU571D9TF
Created by admin on Sat Dec 16 11:12:31 UTC 2023 , Edited by admin on Sat Dec 16 11:12:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID60939362
Created by admin on Sat Dec 16 11:12:31 UTC 2023 , Edited by admin on Sat Dec 16 11:12:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY