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Details

Stereochemistry ACHIRAL
Molecular Formula C17H25N3O3S
Molecular Weight 351.464
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(((3-(2-(DIMETHYLAMINO)ETHYL)INDOL-5-YL)METHYL)SULFONYL)PYRROLIDINE N-OXIDE

SMILES

CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)[N+]3([O-])CCCC3)C=C2

InChI

InChIKey=KLFZZCSAQWNFCL-UHFFFAOYSA-N
InChI=1S/C17H25N3O3S/c1-19(2)8-7-15-12-18-17-6-5-14(11-16(15)17)13-24(22,23)20(21)9-3-4-10-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H25N3O3S
Molecular Weight 351.464
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:32:44 GMT 2023
Edited
by admin
on Sat Dec 16 15:32:44 GMT 2023
Record UNII
ST89U4Z9GO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(((3-(2-(DIMETHYLAMINO)ETHYL)INDOL-5-YL)METHYL)SULFONYL)PYRROLIDINE N-OXIDE
Systematic Name English
ALMOTRIPTAN RELATED COMPOUND D [USP-RS]
Common Name English
ALMOTRIPTAN RELATED COMPOUND D [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
ST89U4Z9GO
Created by admin on Sat Dec 16 15:32:44 GMT 2023 , Edited by admin on Sat Dec 16 15:32:44 GMT 2023
PRIMARY
RS_ITEM_NUM
1013567
Created by admin on Sat Dec 16 15:32:44 GMT 2023 , Edited by admin on Sat Dec 16 15:32:44 GMT 2023
PRIMARY
PUBCHEM
145996777
Created by admin on Sat Dec 16 15:32:44 GMT 2023 , Edited by admin on Sat Dec 16 15:32:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP