U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C22H26N2O3S
Molecular Weight 398.518
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELETRIPTAN N-OXIDE

SMILES

C[N+]1([O-])CCC[C@@H]1CC2=CNC3=CC=C(CCS(=O)(=O)C4=CC=CC=C4)C=C23

InChI

InChIKey=QXXCIRSBRHOOJE-PHSANKKPSA-N
InChI=1S/C22H26N2O3S/c1-24(25)12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-28(26,27)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-,24?/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H26N2O3S
Molecular Weight 398.518
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:38 UTC 2023
Edited
by admin
on Sat Dec 16 18:37:38 UTC 2023
Record UNII
7RGQ9Y9CLH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELETRIPTAN N-OXIDE
Common Name English
1H-INDOLE, 3-(((2R)-1-METHYL-1-OXIDO-2-PYRROLIDINYL)METHYL)-5-(2-(PHENYLSULFONYL)ETHYL)-
Systematic Name English
3-(((2R)-1-METHYL-1-OXIDO-2-PYRROLIDINYL)METHYL)-5-(2-(PHENYLSULFONYL)ETHYL)-1H-INDOLE
Systematic Name English
Code System Code Type Description
CAS
1217641-89-8
Created by admin on Sat Dec 16 18:37:38 UTC 2023 , Edited by admin on Sat Dec 16 18:37:38 UTC 2023
PRIMARY
FDA UNII
7RGQ9Y9CLH
Created by admin on Sat Dec 16 18:37:38 UTC 2023 , Edited by admin on Sat Dec 16 18:37:38 UTC 2023
PRIMARY
PUBCHEM
29979307
Created by admin on Sat Dec 16 18:37:38 UTC 2023 , Edited by admin on Sat Dec 16 18:37:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY