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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N4O3S
Molecular Weight 310.372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-sumatriptan

SMILES

CNS(=O)(=O)CC1=CC2=C(NC=C2CCN(C)N=O)C=C1

InChI

InChIKey=KCHQUVAKLDLKAG-UHFFFAOYSA-N
InChI=1S/C13H18N4O3S/c1-14-21(19,20)9-10-3-4-13-12(7-10)11(8-15-13)5-6-17(2)16-18/h3-4,7-8,14-15H,5-6,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H18N4O3S
Molecular Weight 310.372
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 Wed Apr 02 18:39:55 GMT 2025
Edited
by admin
on Wed Apr 02 18:39:55 GMT 2025
Record UNII
LRV9S7YK96
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-desmethyl-sumatriptan
Common Name English
1H-Indole-5-methanesulfonamide, N-methyl-3-[2-(methylnitrosoamino)ethyl]-
Preferred Name English
Code System Code Type Description
CAS
3036581-86-6
Created by admin on Wed Apr 02 18:39:55 GMT 2025 , Edited by admin on Wed Apr 02 18:39:55 GMT 2025
PRIMARY
FDA UNII
LRV9S7YK96
Created by admin on Wed Apr 02 18:39:55 GMT 2025 , Edited by admin on Wed Apr 02 18:39:55 GMT 2025
PRIMARY
PUBCHEM
169444890
Created by admin on Wed Apr 02 18:39:55 GMT 2025 , Edited by admin on Wed Apr 02 18:39:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
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